cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C15H21NO2 — CID 124756785

IUPACcis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C15H21NO2/c1-4-18-13-7-5-12(6-8-13)11(3)16-15(17)14-9-10(14)2/h5-8,10-11,14H,4,9H2,1-3H3,(H,16,17)/t10-,11+,14+/m1/s1
InChIKeyUPIVXKPPLYIXHK-SUNKGSAMSA-N
MW247.34 g/mol
LogP2.92
Rot. Bonds5

About cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 124756785) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID124756785
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C15H21NO2/c1-4-18-13-7-5-12(6-8-13)11(3)16-15(17)14-9-10(14)2/h5-8,10-11,14H,4,9H2,1-3H3,(H,16,17)/t10-,11+,14+/m1/s1
InChIKeyUPIVXKPPLYIXHK-SUNKGSAMSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
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
cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 11895791
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975218
2-[1-(3,4-diethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181484
(1R,2R,3R,4R)-3-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124717945

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 124756785) is cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1.
What is the InChIKey of cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is UPIVXKPPLYIXHK-SUNKGSAMSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-18-13-7-5-12(6-8-13)11(3)16-15(17)14-9-10(14)2/h5-8,10-11,14H,4,9H2,1-3H3,(H,16,17)/t10-,11+,14+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124756785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).