(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate

C15H22N2O3 — CID 144988687

IUPAC(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(N)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(11(3)18)17(4)15(19)20-9-12-5-7-13(16)8-6-12/h5-8,10,14H,9,16H2,1-4H3
InChIKeyUPOPCEXJPUQXMG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.45
Rot. Bonds5

About (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate

(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate (PubChem CID 144988687) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Name(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
PubChem CID144988687
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(N)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(11(3)18)17(4)15(19)20-9-12-5-7-13(16)8-6-12/h5-8,10,14H,9,16H2,1-4H3
InChIKeyUPOPCEXJPUQXMG-UHFFFAOYSA-N
XLogP2.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate 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)-3-(4-aminophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 70072973
benzyl (2S)-2-[2-(4-aminophenyl)ethyl-methylamino]-3-methylbutanoate
CID 126567137
(2,5-dihydroxypyrrol-1-yl) (2S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoate
CID 54010967
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
(2S)-2-[(4-aminophenyl)methoxycarbonyl-methylamino]-3-(tert-butyldisulfanyl)propanoic acid
CID 146563209
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
[4-[[(2S)-5-(carbamoylamino)-2-(methylamino)pentanoyl]amino]phenyl]methyl N-methyl-N-[(2S)-3-methyl-1-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-1-oxobutan-2-yl]carbamate
CID 155467640
N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide
CID 156575277

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The IUPAC name of (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate (CID 144988687) is (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate.
What is the SMILES notation for (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The canonical SMILES for (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate is CC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
The InChIKey is UPOPCEXJPUQXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)14(11(3)18)17(4)15(19)20-9-12-5-7-13(16)8-6-12/h5-8,10,14H,9,16H2,1-4H3.
What are the key properties of (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate?
(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate is sourced from PubChem (CID 144988687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).