N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide

C30H29N3O5 — CID 151012110

IUPACN-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2CN)cc1OC
InChIInChI=1S/C30H29N3O5/c1-36-27-15-13-21(16-28(27)37-2)29(34)33-25-17-23(14-12-22(25)18-31)32-30(35)24-10-6-7-11-26(24)38-19-20-8-4-3-5-9-20/h3-17H,18-19,31H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyRJDFUWUDSOFCHS-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.25
Rot. Bonds10

About N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide

N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide (PubChem CID 151012110) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
PubChem CID151012110
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC NameN-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2CN)cc1OC
InChIInChI=1S/C30H29N3O5/c1-36-27-15-13-21(16-28(27)37-2)29(34)33-25-17-23(14-12-22(25)18-31)32-30(35)24-10-6-7-11-26(24)38-19-20-8-4-3-5-9-20/h3-17H,18-19,31H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyRJDFUWUDSOFCHS-UHFFFAOYSA-N
XLogP5.25
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide (CID 151012110) is N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2CN)cc1OC.
What is the InChIKey of N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is RJDFUWUDSOFCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-36-27-15-13-21(16-28(27)37-2)29(34)33-25-17-23(14-12-22(25)18-31)32-30(35)24-10-6-7-11-26(24)38-19-20-8-4-3-5-9-20/h3-17H,18-19,31H2,1-2H3,(H,32,35)(H,33,34).
What are the key properties of N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide?
N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 511.58 g/mol, XLogP of 5.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 151012110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).