3-methylbutyl N-carbamoylcarbamate

C7H14N2O3 — CID 3027873

IUPAC3-methylbutyl N-carbamoylcarbamate
SMILESCC(C)CCOC(=O)NC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(2)3-4-12-7(11)9-6(8)10/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyLJZROFZRNUBYJF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.84
Rot. Bonds3

About 3-methylbutyl N-carbamoylcarbamate

3-methylbutyl N-carbamoylcarbamate (PubChem CID 3027873) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methylbutyl N-carbamoylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N-carbamoylcarbamate
PubChem CID3027873
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-methylbutyl N-carbamoylcarbamate
SMILESCC(C)CCOC(=O)NC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(2)3-4-12-7(11)9-6(8)10/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyLJZROFZRNUBYJF-UHFFFAOYSA-N
XLogP0.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methylbutyl N-carbamoylcarbamate 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

3-methylbutyl N-ethenylcarbamate
CID 146374933
3-methylbutyl N-[N'-(4-methoxyphenyl)carbamimidoyl]carbamate
CID 135454776
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
3-methylbutyl N-phenylcarbamate
CID 69480810
3-methylbutyl acetate;oxophosphanium
CID 159706016
3-methylbutyl 2-propan-2-yloxyacetate
CID 59502419
3-methylbutyl N-[N'-(3-methoxyphenyl)carbamimidoyl]carbamate
CID 135481152
chloro 3-methylbutyl carbonate
CID 22341746
3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
8-methylnonyl N-aminocarbamate
CID 151869472
3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-carbamoylcarbamate?
The IUPAC name of 3-methylbutyl N-carbamoylcarbamate (CID 3027873) is 3-methylbutyl N-carbamoylcarbamate.
What is the SMILES notation for 3-methylbutyl N-carbamoylcarbamate?
The canonical SMILES for 3-methylbutyl N-carbamoylcarbamate is CC(C)CCOC(=O)NC(N)=O.
What is the InChIKey of 3-methylbutyl N-carbamoylcarbamate?
The InChIKey is LJZROFZRNUBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(2)3-4-12-7(11)9-6(8)10/h5H,3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 3-methylbutyl N-carbamoylcarbamate?
3-methylbutyl N-carbamoylcarbamate has a molecular weight of 174.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-carbamoylcarbamate is sourced from PubChem (CID 3027873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).