(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate

C17H26N2O3 — CID 178047297

IUPAC(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCCC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C17H26N2O3/c1-5-6-16(20)18(3)11-12-19(4)17(21)22-13-15-9-7-14(2)8-10-15/h7-10H,5-6,11-13H2,1-4H3
InChIKeyVSUKGTCIWKIWEB-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.82
Rot. Bonds7

About (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate

(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 178047297) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID178047297
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCCC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C17H26N2O3/c1-5-6-16(20)18(3)11-12-19(4)17(21)22-13-15-9-7-14(2)8-10-15/h7-10H,5-6,11-13H2,1-4H3
InChIKeyVSUKGTCIWKIWEB-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate 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

ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
CID 171843698
carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
CID 178047272
(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 167648938
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
iodo N-[2-[[4-(iodoamino)phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 171843588
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
N-[2-(2-chloroethoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 114242753
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
iodo (4-methylphenyl)methyl carbonate
CID 170151158
[4-[(3-acetyl-4-hydroxyphenyl)diazenyl]phenyl]methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 166950574
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate (CID 178047297) is (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate is CCCC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is VSUKGTCIWKIWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-6-16(20)18(3)11-12-19(4)17(21)22-13-15-9-7-14(2)8-10-15/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate?
(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 306.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 178047297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).