ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate

C16H24N2O3 — CID 42958750

IUPACethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)Nc1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-6-21-16(20)18-14(10(2)3)15(19)17-13-8-7-11(4)12(5)9-13/h7-10,14H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyLLHKWURYQFTWEE-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds5

About ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 42958750) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID42958750
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)Nc1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-6-21-16(20)18-14(10(2)3)15(19)17-13-8-7-11(4)12(5)9-13/h7-10,14H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyLLHKWURYQFTWEE-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 ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-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

(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
ethyl N-[1-[4-(diethylamino)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46427219
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
ethyl N-[1-[4-(azepan-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55650062
(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 1036687
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
ethyl N-[1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46431121
2-methylpropyl N-[4-amino-1-(3,4-dimethylanilino)-1,4-dioxobutan-2-yl]carbamate
CID 3127214
ethyl N-[3-methyl-1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]anilino]-1-oxobutan-2-yl]carbamate
CID 55813107
ethyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 47064806
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
ethyl N-[(2R)-3-methyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029169

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 42958750) is ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)Nc1ccc(C)c(C)c1)C(C)C.
What is the InChIKey of ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is LLHKWURYQFTWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-21-16(20)18-14(10(2)3)15(19)17-13-8-7-11(4)12(5)9-13/h7-10,14H,6H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate 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 ethyl N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 42958750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).