cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide

C14H19NO — CID 134523878

IUPACcis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-11-9-13(11)14(16)15-10(2)12-7-5-4-6-8-12/h4-8,10-11,13H,3,9H2,1-2H3,(H,15,16)/t10-,11+,13+/m0/s1
InChIKeyOCKTZYFHZULDPD-DMDPSCGWSA-N
MW217.31 g/mol
LogP2.91
Rot. Bonds4

About cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide (PubChem CID 134523878) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
PubChem CID134523878
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Namecis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-11-9-13(11)14(16)15-10(2)12-7-5-4-6-8-12/h4-8,10-11,13H,3,9H2,1-2H3,(H,15,16)/t10-,11+,13+/m0/s1
InChIKeyOCKTZYFHZULDPD-DMDPSCGWSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 171097114
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
(1S,6R)-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 103710093
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 164864896

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide (CID 134523878) is cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide is CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide?
The InChIKey is OCKTZYFHZULDPD-DMDPSCGWSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-11-9-13(11)14(16)15-10(2)12-7-5-4-6-8-12/h4-8,10-11,13H,3,9H2,1-2H3,(H,15,16)/t10-,11+,13+/m0/s1.
What are the key properties of cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134523878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).