propan-2-yl N-(2-imidazol-1-ylethyl)carbamate

C9H15N3O2 — CID 116654702

IUPACpropan-2-yl N-(2-imidazol-1-ylethyl)carbamate
SMILESCC(C)OC(=O)NCCn1ccnc1
InChIInChI=1S/C9H15N3O2/c1-8(2)14-9(13)11-4-6-12-5-3-10-7-12/h3,5,7-8H,4,6H2,1-2H3,(H,11,13)
InChIKeyOPSDYVUSNORBTM-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.02
Rot. Bonds4

About propan-2-yl N-(2-imidazol-1-ylethyl)carbamate

propan-2-yl N-(2-imidazol-1-ylethyl)carbamate (PubChem CID 116654702) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is propan-2-yl N-(2-imidazol-1-ylethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-imidazol-1-ylethyl)carbamate
PubChem CID116654702
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namepropan-2-yl N-(2-imidazol-1-ylethyl)carbamate
SMILESCC(C)OC(=O)NCCn1ccnc1
InChIInChI=1S/C9H15N3O2/c1-8(2)14-9(13)11-4-6-12-5-3-10-7-12/h3,5,7-8H,4,6H2,1-2H3,(H,11,13)
InChIKeyOPSDYVUSNORBTM-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl N-(2-imidazol-1-ylethyl)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

propan-2-yl N-(4-imidazol-1-ylbutyl)carbamate
CID 116655262
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-imidazol-1-ylethylurea
CID 61061185
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
4-(2-imidazol-1-ylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61324907

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-imidazol-1-ylethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-imidazol-1-ylethyl)carbamate (CID 116654702) is propan-2-yl N-(2-imidazol-1-ylethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-imidazol-1-ylethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-imidazol-1-ylethyl)carbamate is CC(C)OC(=O)NCCn1ccnc1.
What is the InChIKey of propan-2-yl N-(2-imidazol-1-ylethyl)carbamate?
The InChIKey is OPSDYVUSNORBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8(2)14-9(13)11-4-6-12-5-3-10-7-12/h3,5,7-8H,4,6H2,1-2H3,(H,11,13).
What are the key properties of propan-2-yl N-(2-imidazol-1-ylethyl)carbamate?
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate has a molecular weight of 197.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-imidazol-1-ylethyl)carbamate is sourced from PubChem (CID 116654702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).