cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide

C14H19NO — CID 94014482

IUPACcis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-13(11)14(16)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,15,16)/t11-,13+/m0/s1
InChIKeyHEMJRMPGCWQHEW-WCQYABFASA-N
MW217.31 g/mol
LogP2.39
Rot. Bonds5

About cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 94014482) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID94014482
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Namecis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCCCc1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-13(11)14(16)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,15,16)/t11-,13+/m0/s1
InChIKeyHEMJRMPGCWQHEW-WCQYABFASA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 97347627
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139479
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide (CID 94014482) is cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NCCCc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is HEMJRMPGCWQHEW-WCQYABFASA-N. The full InChI is InChI=1S/C14H19NO/c1-11-10-13(11)14(16)15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,15,16)/t11-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94014482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).