N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide

C17H22N4O — CID 123507745

IUPACN-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
SMILESCNc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1NC
InChIInChI=1S/C17H22N4O/c1-18-15-10-7-13(11-16(15)19-2)20-17(22)12-5-8-14(9-6-12)21(3)4/h5-11,18-19H,1-4H3,(H,20,22)
InChIKeyFLMIZIXZKOPZCL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds5

About N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide

N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide (PubChem CID 123507745) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
PubChem CID123507745
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
SMILESCNc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1NC
InChIInChI=1S/C17H22N4O/c1-18-15-10-7-13(11-16(15)19-2)20-17(22)12-5-8-14(9-6-12)21(3)4/h5-11,18-19H,1-4H3,(H,20,22)
InChIKeyFLMIZIXZKOPZCL-UHFFFAOYSA-N
XLogP3.09
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(dimethylamino)-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110743956
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide (CID 123507745) is N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide is CNc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1NC.
What is the InChIKey of N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide?
The InChIKey is FLMIZIXZKOPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-18-15-10-7-13(11-16(15)19-2)20-17(22)12-5-8-14(9-6-12)21(3)4/h5-11,18-19H,1-4H3,(H,20,22).
What are the key properties of N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide?
N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 123507745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).