ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate

C12H24N2O3 — CID 155567506

IUPACethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
SMILESCCOC(=O)NCCCC(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O3/c1-4-17-12(16)14-8-5-6-11(15)13-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyLTJOEMDFQDIVGL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.67
Rot. Bonds8

About ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate

ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate (PubChem CID 155567506) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
PubChem CID155567506
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
SMILESCCOC(=O)NCCCC(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O3/c1-4-17-12(16)14-8-5-6-11(15)13-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyLTJOEMDFQDIVGL-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]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

tert-butyl N-((5-oxopyrrolidin-3-yl)methyl)carbamate
CID 68769671
tert-butyl N-[2-[4-(ethoxycarbonylamino)butanoylamino]ethyl]carbamate
CID 155562992
Isoamylurethan
CID 5195279
Butanamide, N-butyl-2-methyl-4-((1-oxobutyl)amino)-
CID 3067788
Butanamide, N-(4-(butylamino)-4-oxobutyl)-3-methyl-
CID 3067801
Butanamide, 3-methyl-N-(4-oxo-4-(propylamino)butyl)-
CID 3067802
tert-butyl N-{3-[(2-aminoethyl)carbamoyl]propyl}carbamate
CID 129987453
tert-butyl N-{3-[(3-aminopropyl)carbamoyl]propyl}carbamate
CID 175193604
tert-Butyl N-[3-(methylcarbamoyl)propyl]carbamate
CID 24688959
Isobutylcarbamate, N-isopentyl
CID 58371763
tert-butyl N-(3-(4-aminobutanamido)propyl)carbamate
CID 134129018
tert-butyl N-[2-(4-aminobutanamido)ethyl]carbamate
CID 177798132

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
The IUPAC name of ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate (CID 155567506) is ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate is CCOC(=O)NCCCC(=O)NCCC(C)C.
What is the InChIKey of ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
The InChIKey is LTJOEMDFQDIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-17-12(16)14-8-5-6-11(15)13-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate?
ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 155567506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).