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

C25H28N4O4 — CID 151119860

IUPACN-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2CN)cc1OC
InChIInChI=1S/C25H28N4O4/c1-29(2)20-7-5-6-16(12-20)24(30)27-19-10-8-18(15-26)21(14-19)28-25(31)17-9-11-22(32-3)23(13-17)33-4/h5-14H,15,26H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyPNANTJWMMQWPKI-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.73
Rot. Bonds8

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

N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide (PubChem CID 151119860) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
PubChem CID151119860
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2CN)cc1OC
InChIInChI=1S/C25H28N4O4/c1-29(2)20-7-5-6-16(12-20)24(30)27-19-10-8-18(15-26)21(14-19)28-25(31)17-9-11-22(32-3)23(13-17)33-4/h5-14H,15,26H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyPNANTJWMMQWPKI-UHFFFAOYSA-N
XLogP3.73
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
CID 174393295
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-[2-(aminomethyl)-5-[(2-phenylmethoxybenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 151012110
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278
N-[3-[(6,7-dimethoxyquinolin-2-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
CID 57174436

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide (CID 151119860) is N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2CN)cc1OC.
What is the InChIKey of N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is PNANTJWMMQWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-29(2)20-7-5-6-16(12-20)24(30)27-19-10-8-18(15-26)21(14-19)28-25(31)17-9-11-22(32-3)23(13-17)33-4/h5-14H,15,26H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide?
N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 448.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 151119860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).