methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate

C16H24N2O3 — CID 3570816

IUPACmethyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-10(2)8-14(15(19)21-5)18-16(20)17-13-7-6-11(3)12(4)9-13/h6-7,9-10,14H,8H2,1-5H3,(H2,17,18,20)
InChIKeyDXCAACYATOHRSU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds5

About methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate

methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate (PubChem CID 3570816) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
PubChem CID3570816
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-10(2)8-14(15(19)21-5)18-16(20)17-13-7-6-11(3)12(4)9-13/h6-7,9-10,14H,8H2,1-5H3,(H2,17,18,20)
InChIKeyDXCAACYATOHRSU-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate 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

methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 944223
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
CID 3806589
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 944657
(2R)-2-[(4-bromo-3-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976471
(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038916
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 51426599
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate (CID 3570816) is methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate?
The InChIKey is DXCAACYATOHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)8-14(15(19)21-5)18-16(20)17-13-7-6-11(3)12(4)9-13/h6-7,9-10,14H,8H2,1-5H3,(H2,17,18,20).
What are the key properties of methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate?
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate is sourced from PubChem (CID 3570816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).