3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate

C14H23N3O2 — CID 10333098

IUPAC3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate
SMILESO=C(NCC1CCCCC1)OCCCc1cnc[nH]1
InChIInChI=1S/C14H23N3O2/c18-14(16-9-12-5-2-1-3-6-12)19-8-4-7-13-10-15-11-17-13/h10-12H,1-9H2,(H,15,17)(H,16,18)
InChIKeyNEALPOZFTMFGSV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.65
Rot. Bonds6

About 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate (PubChem CID 10333098) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate
PubChem CID10333098
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate
SMILESO=C(NCC1CCCCC1)OCCCc1cnc[nH]1
InChIInChI=1S/C14H23N3O2/c18-14(16-9-12-5-2-1-3-6-12)19-8-4-7-13-10-15-11-17-13/h10-12H,1-9H2,(H,15,17)(H,16,18)
InChIKeyNEALPOZFTMFGSV-UHFFFAOYSA-N
XLogP2.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10680721
(S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate
CID 10489384
Cyclohexylmethyl N-[(1R,2R)-2-(3H-imidazol-4-yl)cyclopropyl]carbamate
CID 9860053
Dicyclopropylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester;C2H2O4
CID 10978306
3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
(R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamate
CID 10515993
(R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamate
CID 10537958
Ethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10679435
(S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbamate
CID 10776393
(R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate
CID 10777275
3-(1H-imidazol-5-yl)propyl N-heptan-2-ylcarbamate
CID 10015825
Cyclobutylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10490047

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate (CID 10333098) is 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate is O=C(NCC1CCCCC1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate?
The InChIKey is NEALPOZFTMFGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-14(16-9-12-5-2-1-3-6-12)19-8-4-7-13-10-15-11-17-13/h10-12H,1-9H2,(H,15,17)(H,16,18).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 10333098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).