ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate

C20H30N2O4 — CID 55654909

IUPACethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CCC(=O)c1ccc(C)cc1)CC(C)C
InChIInChI=1S/C20H30N2O4/c1-5-26-20(25)22-17(12-14(2)3)13-21-19(24)11-10-18(23)16-8-6-15(4)7-9-16/h6-9,14,17H,5,10-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyIELIKVVTXQQJSG-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.23
Rot. Bonds10

About ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate (PubChem CID 55654909) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
PubChem CID55654909
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nameethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CCC(=O)c1ccc(C)cc1)CC(C)C
InChIInChI=1S/C20H30N2O4/c1-5-26-20(25)22-17(12-14(2)3)13-21-19(24)11-10-18(23)16-8-6-15(4)7-9-16/h6-9,14,17H,5,10-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyIELIKVVTXQQJSG-UHFFFAOYSA-N
XLogP3.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-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

ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 46432538
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl 1-[2-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 46432748
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate (CID 55654909) is ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)CCC(=O)c1ccc(C)cc1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate?
The InChIKey is IELIKVVTXQQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-26-20(25)22-17(12-14(2)3)13-21-19(24)11-10-18(23)16-8-6-15(4)7-9-16/h6-9,14,17H,5,10-13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 55654909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).