cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide

C16H23NO — CID 27450935

IUPACcis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C16H23NO/c1-10(2)13-5-7-14(8-6-13)12(4)17-16(18)15-9-11(15)3/h5-8,10-12,15H,9H2,1-4H3,(H,17,18)/t11-,12+,15+/m0/s1
InChIKeySALKRYBXVDVQGA-YWPYICTPSA-N
MW245.37 g/mol
LogP3.64
Rot. Bonds4

About cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 27450935) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID27450935
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Namecis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C16H23NO/c1-10(2)13-5-7-14(8-6-13)12(4)17-16(18)15-9-11(15)3/h5-8,10-12,15H,9H2,1-4H3,(H,17,18)/t11-,12+,15+/m0/s1
InChIKeySALKRYBXVDVQGA-YWPYICTPSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 11895791
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
(1S,6S)-6-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27475382
(1S,6R)-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 103710093

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide (CID 27450935) is cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide is CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SALKRYBXVDVQGA-YWPYICTPSA-N. The full InChI is InChI=1S/C16H23NO/c1-10(2)13-5-7-14(8-6-13)12(4)17-16(18)15-9-11(15)3/h5-8,10-12,15H,9H2,1-4H3,(H,17,18)/t11-,12+,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.64, 4 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-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 27450935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).