(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide

C14H21N3O2 — CID 34977565

IUPAC(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
SMILESCc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1C
InChIInChI=1S/C14H21N3O2/c1-8(2)12(17-14(15)19)13(18)16-11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1
InChIKeyHNTAMJCICYVEOP-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds4

About (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide

(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide (PubChem CID 34977565) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
PubChem CID34977565
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
SMILESCc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1C
InChIInChI=1S/C14H21N3O2/c1-8(2)12(17-14(15)19)13(18)16-11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1
InChIKeyHNTAMJCICYVEOP-LBPRGKRZSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide 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

ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 42958750
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 1036687
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 2426812
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199
2-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153
4-amino-N-(3,4-dimethylphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82119335
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide (CID 34977565) is (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide is Cc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1C.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide?
The InChIKey is HNTAMJCICYVEOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)12(17-14(15)19)13(18)16-11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3,(H,16,18)(H3,15,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide?
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide is sourced from PubChem (CID 34977565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).