Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate

Name: Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₁N₃O₃ — CID 102036194

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbenzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate

SMILESCCOCn1cnc([C@H](C)NC(=O)OCc2ccccc2)c1

InChIInChI=1S/C16H21N3O3/c1-3-21-12-19-9-15(17-11-19)13(2)18-16(20)22-10-14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)/t13-/m0/s1

InChIKeyCPFOPZYNJOYMED-ZDUSSCGKSA-N

MW303.36 g/mol

LogP2.86

Rot. Bonds7

About Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate

Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 102036194) has the molecular formula C₁₆H₂₁N₃O₃ and a molecular weight of 303.36 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name	Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate
PubChem CID	102036194
Molecular Formula	C₁₆H₂₁N₃O₃
Molecular Weight	303.36 g/mol
Exact Mass	303.16
IUPAC Name	benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate
SMILES	CCOCn1cnc([C@H](C)NC(=O)OCc2ccccc2)c1
InChI	InChI=1S/C16H21N3O3/c1-3-21-12-19-9-15(17-11-19)13(2)18-16(20)22-10-14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKey	CPFOPZYNJOYMED-ZDUSSCGKSA-N
XLogP	2.86
TPSA	65.38 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.36
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate?

The IUPAC name of Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate (CID 102036194) is benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate.

What is the SMILES notation for Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate?

The canonical SMILES for Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate is CCOCn1cnc([C@H](C)NC(=O)OCc2ccccc2)c1.

What is the InChIKey of Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate?

The InChIKey is CPFOPZYNJOYMED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-21-12-19-9-15(17-11-19)13(2)18-16(20)22-10-14-7-5-4-6-8-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,18,20)/t13-/m0/s1.

What are the key properties of Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate?

Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 102036194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 102036194 — identifiers, structure, computed properties (public domain)

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