N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide

C18H21N3O2 — CID 51159202

IUPACN-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-12-9-13(2)11-16(10-12)20-17(22)14(3)19-18(23)21-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyQETVUTXHPFSBKV-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.45
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide

N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 51159202) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID51159202
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-12-9-13(2)11-16(10-12)20-17(22)14(3)19-18(23)21-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyQETVUTXHPFSBKV-UHFFFAOYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide 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

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 55363773
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
9H-fluoren-9-ylmethyl N-[(2S)-1-(3,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 14440764
(2R)-2-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576611

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide (CID 51159202) is N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide is Cc1cc(C)cc(NC(=O)C(C)NC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is QETVUTXHPFSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-9-13(2)11-16(10-12)20-17(22)14(3)19-18(23)21-15-7-5-4-6-8-15/h4-11,14H,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 51159202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).