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

C18H21N3O2 — CID 51148374

IUPACN-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCc1cccc(NC(=O)C(C)NC(=O)Nc2ccccc2)c1C
InChIInChI=1S/C18H21N3O2/c1-12-8-7-11-16(13(12)2)21-17(22)14(3)19-18(23)20-15-9-5-4-6-10-15/h4-11,14H,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyJZCUMMZJYJIBAU-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.45
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 51148374) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID51148374
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCc1cccc(NC(=O)C(C)NC(=O)Nc2ccccc2)c1C
InChIInChI=1S/C18H21N3O2/c1-12-8-7-11-16(13(12)2)21-17(22)14(3)19-18(23)20-15-9-5-4-6-10-15/h4-11,14H,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyJZCUMMZJYJIBAU-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

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Related Compounds

N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
3-[(2,3-dimethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 113416485
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,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61200115
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide (CID 51148374) is N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide is Cc1cccc(NC(=O)C(C)NC(=O)Nc2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is JZCUMMZJYJIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-8-7-11-16(13(12)2)21-17(22)14(3)19-18(23)20-15-9-5-4-6-10-15/h4-11,14H,1-3H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide?
N-(2,3-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-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 51148374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).