N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide

C30H37N3O4 — CID 67780051

IUPACN-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1OCCCCCOc1cccc(C=NN)c1
InChIInChI=1S/C30H37N3O4/c1-23(2)33(22-24-11-6-4-7-12-24)30(34)26-15-16-28(29(20-26)35-3)37-18-9-5-8-17-36-27-14-10-13-25(19-27)21-32-31/h4,6-7,10-16,19-21,23H,5,8-9,17-18,22,31H2,1-3H3
InChIKeyHDHLXTVGEGMEGT-UHFFFAOYSA-N
MW503.64 g/mol
LogP5.67
Rot. Bonds14

About N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide

N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide (PubChem CID 67780051) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide
PubChem CID67780051
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC NameN-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1OCCCCCOc1cccc(C=NN)c1
InChIInChI=1S/C30H37N3O4/c1-23(2)33(22-24-11-6-4-7-12-24)30(34)26-15-16-28(29(20-26)35-3)37-18-9-5-8-17-36-27-14-10-13-25(19-27)21-32-31/h4,6-7,10-16,19-21,23H,5,8-9,17-18,22,31H2,1-3H3
InChIKeyHDHLXTVGEGMEGT-UHFFFAOYSA-N
XLogP5.67
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744844
N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744831
3-chloro-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide
CID 67744746
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
CID 67908932
3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine
CID 168529091
3-methoxy-4-[5-[4-[(Z)-N'-methylsulfonylcarbamimidoyl]phenoxy]pentoxy]-N,N-di(propan-2-yl)benzamide
CID 18991708
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
ethyl 6-[3-[[[4-(3-fluorophenyl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoate
CID 70696719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide (CID 67780051) is N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide is COc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1OCCCCCOc1cccc(C=NN)c1.
What is the InChIKey of N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide?
The InChIKey is HDHLXTVGEGMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-23(2)33(22-24-11-6-4-7-12-24)30(34)26-15-16-28(29(20-26)35-3)37-18-9-5-8-17-36-27-14-10-13-25(19-27)21-32-31/h4,6-7,10-16,19-21,23H,5,8-9,17-18,22,31H2,1-3H3.
What are the key properties of N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide?
N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide has a molecular weight of 503.64 g/mol, XLogP of 5.67, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 67780051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).