trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C15H21NO2 — CID 33033808

IUPACtrans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-10-4-5-14(18-3)12(8-10)6-7-16-15(17)13-9-11(13)2/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyXUUOEWPYCMSNCP-AAEUAGOBSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds5

About trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 33033808) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID33033808
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametrans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-10-4-5-14(18-3)12(8-10)6-7-16-15(17)13-9-11(13)2/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyXUUOEWPYCMSNCP-AAEUAGOBSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
2-[2-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165425
(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39968150
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137840
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide
CID 138011123

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 33033808) is trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XUUOEWPYCMSNCP-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-4-5-14(18-3)12(8-10)6-7-16-15(17)13-9-11(13)2/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 33033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).