trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C14H19NO2 — CID 27450158

IUPACtrans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1
InChIInChI=1S/C14H19NO2/c1-9-8-13(9)14(16)15-10(2)11-4-6-12(17-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H,15,16)/t9-,10-,13-/m0/s1
InChIKeyCOSNGNOZECLPTG-KWBADKCTSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds4

About trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 27450158) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID27450158
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametrans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1
InChIInChI=1S/C14H19NO2/c1-9-8-13(9)14(16)15-10(2)11-4-6-12(17-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H,15,16)/t9-,10-,13-/m0/s1
InChIKeyCOSNGNOZECLPTG-KWBADKCTSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
6-[1-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17262888
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
tert-butyl N-[(1S,2R)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclobutyl]carbamate
CID 42611530
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide
CID 171646812

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 27450158) is trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1.
What is the InChIKey of trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is COSNGNOZECLPTG-KWBADKCTSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-8-13(9)14(16)15-10(2)11-4-6-12(17-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H,15,16)/t9-,10-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 27450158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).