2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide

C21H27N3O2 — CID 3533936

IUPAC2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2C)ccc1N(C)C
InChIInChI=1S/C21H27N3O2/c1-6-24(7-2)21(26)18-14-16(12-13-19(18)23(4)5)22-20(25)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3,(H,22,25)
InChIKeyKHJRCTMKEOWLFT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.80
Rot. Bonds6

About 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide

2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide (PubChem CID 3533936) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
PubChem CID3533936
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2C)ccc1N(C)C
InChIInChI=1S/C21H27N3O2/c1-6-24(7-2)21(26)18-14-16(12-13-19(18)23(4)5)22-20(25)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3,(H,22,25)
InChIKeyKHJRCTMKEOWLFT-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
2-(dipropylamino)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807457
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
CID 170896427

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide (CID 3533936) is 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide is CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2C)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide?
The InChIKey is KHJRCTMKEOWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-6-24(7-2)21(26)18-14-16(12-13-19(18)23(4)5)22-20(25)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3,(H,22,25).
What are the key properties of 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide?
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 3533936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).