3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide

C19H23N3O2 — CID 54840407

IUPAC3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)21-18(23)12-20-16-7-9-17(10-8-16)22-19(24)15-6-4-5-14(3)11-15/h4-11,13,20H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDKFUOAZMTWLVEL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.18
Rot. Bonds6

About 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide

3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide (PubChem CID 54840407) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
PubChem CID54840407
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)21-18(23)12-20-16-7-9-17(10-8-16)22-19(24)15-6-4-5-14(3)11-15/h4-11,13,20H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDKFUOAZMTWLVEL-UHFFFAOYSA-N
XLogP3.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]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

3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
CID 54840284
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide (CID 54840407) is 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCC(=O)NC(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide?
The InChIKey is DKFUOAZMTWLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)21-18(23)12-20-16-7-9-17(10-8-16)22-19(24)15-6-4-5-14(3)11-15/h4-11,13,20H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide?
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54840407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).