ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate

C13H17NO3 — CID 113091172

IUPACethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C13H17NO3/c1-3-17-12(15)14-13(8-9-13)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyZAZQRRBSYOLMQT-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.43
Rot. Bonds4

About ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate

ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate (PubChem CID 113091172) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
PubChem CID113091172
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C13H17NO3/c1-3-17-12(15)14-13(8-9-13)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyZAZQRRBSYOLMQT-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 2-[[1-(4-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carboxylate
CID 129033011
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
CID 113215580
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate?
The IUPAC name of ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate (CID 113091172) is ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate?
The canonical SMILES for ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate is CCOC(=O)NC1(c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate?
The InChIKey is ZAZQRRBSYOLMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-12(15)14-13(8-9-13)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate?
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate is sourced from PubChem (CID 113091172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).