methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate

C14H17N3O2 — CID 141055573

IUPACmethyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate
SMILESCOC(=O)N(CCCc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)17(13-15-9-10-16-13)11-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16)
InChIKeyJPBRONSBGHSQQG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.62
Rot. Bonds5

About methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate

methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate (PubChem CID 141055573) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate
PubChem CID141055573
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate
SMILESCOC(=O)N(CCCc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)17(13-15-9-10-16-13)11-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16)
InChIKeyJPBRONSBGHSQQG-UHFFFAOYSA-N
XLogP2.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)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

N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide
CID 12847939
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
(2S)-2-[hexanoyl(1H-imidazol-2-yl)amino]-3-phenylpropanoic acid
CID 165389505
methyl N-(5-oxopentyl)-N-phenylcarbamate
CID 174518980
N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide
CID 19593146
methyl 3-oxo-6-phenylhexanoate
CID 12701554
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472

Frequently Asked Questions

What is the IUPAC name of methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate?
The IUPAC name of methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate (CID 141055573) is methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate.
What is the SMILES notation for methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate?
The canonical SMILES for methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate is COC(=O)N(CCCc1ccccc1)c1ncc[nH]1.
What is the InChIKey of methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate?
The InChIKey is JPBRONSBGHSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-14(18)17(13-15-9-10-16-13)11-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,15,16).
What are the key properties of methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate?
methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate has a molecular weight of 259.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1H-imidazol-2-yl)-N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 141055573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).