N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C27H30N2O7 — CID 4094581

IUPACN-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C27H30N2O7/c1-32-21-11-10-17(14-22(21)33-2)12-13-28-27(31)19-8-6-7-9-20(19)29-26(30)18-15-23(34-3)25(36-5)24(16-18)35-4/h6-11,14-16H,12-13H2,1-5H3,(H,28,31)(H,29,30)
InChIKeyFCIBOKOZTHETRV-UHFFFAOYSA-N
MW494.54 g/mol
LogP3.95
Rot. Bonds11

About N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 4094581) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID4094581
Molecular FormulaC27H30N2O7
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C27H30N2O7/c1-32-21-11-10-17(14-22(21)33-2)12-13-28-27(31)19-8-6-7-9-20(19)29-26(30)18-15-23(34-3)25(36-5)24(16-18)35-4/h6-11,14-16H,12-13H2,1-5H3,(H,28,31)(H,29,30)
InChIKeyFCIBOKOZTHETRV-UHFFFAOYSA-N
XLogP3.95
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 30393729
5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
CID 99954563
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 4094581) is N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is FCIBOKOZTHETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-32-21-11-10-17(14-22(21)33-2)12-13-28-27(31)19-8-6-7-9-20(19)29-26(30)18-15-23(34-3)25(36-5)24(16-18)35-4/h6-11,14-16H,12-13H2,1-5H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 494.54 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4094581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).