3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide

C29H37N5O2 — CID 54439190

IUPAC3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C29H37N5O2/c1-21-11-14-24(30-29(36)23-9-7-10-26(19-23)33(4)5)20-27(21)31-28(35)22-12-15-25(16-13-22)34(6)18-8-17-32(2)3/h7,9-16,19-20H,8,17-18H2,1-6H3,(H,30,36)(H,31,35)
InChIKeyWMWIFWNVNLKXAK-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.95
Rot. Bonds10

About 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide

3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide (PubChem CID 54439190) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
PubChem CID54439190
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C29H37N5O2/c1-21-11-14-24(30-29(36)23-9-7-10-26(19-23)33(4)5)20-27(21)31-28(35)22-12-15-25(16-13-22)34(6)18-8-17-32(2)3/h7,9-16,19-20H,8,17-18H2,1-6H3,(H,30,36)(H,31,35)
InChIKeyWMWIFWNVNLKXAK-UHFFFAOYSA-N
XLogP4.95
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[3-(dimethylamino)propyl-methylamino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 174436777
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
CID 22291047
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
CID 22291123
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
CID 150182067
N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
CID 22594113
N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide (CID 54439190) is 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(N(C)CCCN(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide?
The InChIKey is WMWIFWNVNLKXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-21-11-14-24(30-29(36)23-9-7-10-26(19-23)33(4)5)20-27(21)31-28(35)22-12-15-25(16-13-22)34(6)18-8-17-32(2)3/h7,9-16,19-20H,8,17-18H2,1-6H3,(H,30,36)(H,31,35).
What are the key properties of 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide?
3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide has a molecular weight of 487.65 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 54439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).