carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)

C77H98I4N4O21V2-2 — CID 159339818

IUPACcarbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)
SMILESCOCCN.COCCOCCOCCOCCNC(=O)c1ccc(O)cc1.COCCOCCOCCOCCNC(=O)c1ccc(OCc2ccccc2)cc1.IC(I)I.O=C(O)c1ccc(OCc2ccccc2)cc1.O=C(ON1C(=O)CCC1=O)c1ccc(OCc2ccccc2)cc1.[CH2-]I.[CH3-].[V].[V]
InChIInChI=1S/C23H31NO6.C18H15NO5.C16H25NO6.C14H12O3.C3H9NO.CHI3.CH2I.CH3.2V/c1-26-13-14-28-17-18-29-16-15-27-12-11-24-23(25)21-7-9-22(10-8-21)30-19-20-5-3-2-4-6-20;20-16-10-11-17(21)19(16)24-18(22)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13;1-20-8-9-22-12-13-23-11-10-21-7-6-17-16(19)14-2-4-15(18)5-3-14;15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11;1-5-3-2-4;2-1(3)4;1-2;;;/h2-10H,11-19H2,1H3,(H,24,25);1-9H,10-12H2;2-5,18H,6-13H2,1H3,(H,17,19);1-9H,10H2,(H,15,16);2-4H2,1H3;1H;1H2;1H3;;/q;;;;;;2*-1;;
InChIKeyAIIGKIVEARDESA-UHFFFAOYSA-N
MW2025.14 g/mol
LogP12.78
Rot. Bonds40

About carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)

carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium) (PubChem CID 159339818) has the molecular formula C77H98I4N4O21V2-2 and a molecular weight of 2025.14 g/mol. Its IUPAC name is carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium).

Molecular Properties

Compound Namecarbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)
PubChem CID159339818
Molecular FormulaC77H98I4N4O21V2-2
Molecular Weight2025.14 g/mol
Exact Mass2024.18
IUPAC Namecarbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)
SMILESCOCCN.COCCOCCOCCOCCNC(=O)c1ccc(O)cc1.COCCOCCOCCOCCNC(=O)c1ccc(OCc2ccccc2)cc1.IC(I)I.O=C(O)c1ccc(OCc2ccccc2)cc1.O=C(ON1C(=O)CCC1=O)c1ccc(OCc2ccccc2)cc1.[CH2-]I.[CH3-].[V].[V]
InChIInChI=1S/C23H31NO6.C18H15NO5.C16H25NO6.C14H12O3.C3H9NO.CHI3.CH2I.CH3.2V/c1-26-13-14-28-17-18-29-16-15-27-12-11-24-23(25)21-7-9-22(10-8-21)30-19-20-5-3-2-4-6-20;20-16-10-11-17(21)19(16)24-18(22)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13;1-20-8-9-22-12-13-23-11-10-21-7-6-17-16(19)14-2-4-15(18)5-3-14;15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11;1-5-3-2-4;2-1(3)4;1-2;;;/h2-10H,11-19H2,1H3,(H,24,25);1-9H,10-12H2;2-5,18H,6-13H2,1H3,(H,17,19);1-9H,10H2,(H,15,16);2-4H2,1H3;1H;1H2;1H3;;/q;;;;;;2*-1;;
InChIKeyAIIGKIVEARDESA-UHFFFAOYSA-N
XLogP12.78
TPSA316.19 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds40
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.14
LogP ≤ 512.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium) with MolForge

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Related Compounds

N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
4-phenylmethoxybenzoic acid
CID 68896574
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
CID 102343472
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600

Frequently Asked Questions

What is the IUPAC name of carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)?
The IUPAC name of carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium) (CID 159339818) is carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium).
What is the SMILES notation for carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)?
The canonical SMILES for carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium) is COCCN.COCCOCCOCCOCCNC(=O)c1ccc(O)cc1.COCCOCCOCCOCCNC(=O)c1ccc(OCc2ccccc2)cc1.IC(I)I.O=C(O)c1ccc(OCc2ccccc2)cc1.O=C(ON1C(=O)CCC1=O)c1ccc(OCc2ccccc2)cc1.[CH2-]I.[CH3-].[V].[V].
What is the InChIKey of carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)?
The InChIKey is AIIGKIVEARDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO6.C18H15NO5.C16H25NO6.C14H12O3.C3H9NO.CHI3.CH2I.CH3.2V/c1-26-13-14-28-17-18-29-16-15-27-12-11-24-23(25)21-7-9-22(10-8-21)30-19-20-5-3-2-4-6-20;20-16-10-11-17(21)19(16)24-18(22)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13;1-20-8-9-22-12-13-23-11-10-21-7-6-17-16(19)14-2-4-15(18)5-3-14;15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11;1-5-3-2-4;2-1(3)4;1-2;;;/h2-10H,11-19H2,1H3,(H,24,25);1-9H,10-12H2;2-5,18H,6-13H2,1H3,(H,17,19);1-9H,10H2,(H,15,16);2-4H2,1H3;1H;1H2;1H3;;/q;;;;;;2*-1;;.
What are the key properties of carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium)?
carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium) has a molecular weight of 2025.14 g/mol, XLogP of 12.78, 40 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2,5-dioxopyrrolidin-1-yl) 4-phenylmethoxybenzoate;4-hydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide;iodoform;iodomethane;2-methoxyethanamine;N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-phenylmethoxybenzamide;4-phenylmethoxybenzoic acid;bis(vanadium) is sourced from PubChem (CID 159339818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).