3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide

C30H28N4O6 — CID 58506935

IUPAC3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide
SMILESCOc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C30H28N4O6/c1-38-25-16-21(17-26(39-2)27(25)40-3)28(35)34-30(37)33-24-11-7-10-23(18-24)32-29(36)31-22-14-12-20(13-15-22)19-8-5-4-6-9-19/h4-18H,1-3H3,(H2,31,32,36)(H2,33,34,35,37)
InChIKeyZIBGOHCSAABMHS-UHFFFAOYSA-N
MW540.58 g/mol
LogP5.99
Rot. Bonds8

About 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide

3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide (PubChem CID 58506935) has the molecular formula C30H28N4O6 and a molecular weight of 540.58 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide
PubChem CID58506935
Molecular FormulaC30H28N4O6
Molecular Weight540.58 g/mol
Exact Mass540.20
IUPAC Name3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide
SMILESCOc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C30H28N4O6/c1-38-25-16-21(17-26(39-2)27(25)40-3)28(35)34-30(37)33-24-11-7-10-23(18-24)32-29(36)31-22-14-12-20(13-15-22)19-8-5-4-6-9-19/h4-18H,1-3H3,(H2,31,32,36)(H2,33,34,35,37)
InChIKeyZIBGOHCSAABMHS-UHFFFAOYSA-N
XLogP5.99
TPSA127.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
3,4,5-trimethoxy-N-[N-[4-methyl-3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamimidoyl]benzamide
CID 137136307
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[(3-acetylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2279251
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
2-methoxy-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 58730700
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
CID 121012209
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3934727

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide (CID 58506935) is 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide is COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide?
The InChIKey is ZIBGOHCSAABMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O6/c1-38-25-16-21(17-26(39-2)27(25)40-3)28(35)34-30(37)33-24-11-7-10-23(18-24)32-29(36)31-22-14-12-20(13-15-22)19-8-5-4-6-9-19/h4-18H,1-3H3,(H2,31,32,36)(H2,33,34,35,37).
What are the key properties of 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide?
3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide has a molecular weight of 540.58 g/mol, XLogP of 5.99, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 58506935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).