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

C16H23NO — CID 11895791

IUPACcis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCCCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C16H23NO/c1-4-5-13-6-8-14(9-7-13)12(3)17-16(18)15-10-11(15)2/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,17,18)/t11-,12-,15+/m0/s1
InChIKeyVLVMVGHDVLOQMO-SLEUVZQESA-N
MW245.37 g/mol
LogP3.47
Rot. Bonds5

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

cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 11895791) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID11895791
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Namecis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCCCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C16H23NO/c1-4-5-13-6-8-14(9-7-13)12(3)17-16(18)15-10-11(15)2/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,17,18)/t11-,12-,15+/m0/s1
InChIKeyVLVMVGHDVLOQMO-SLEUVZQESA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.47
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
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
(1R,2S,3S,4R)-7-propan-2-ylidene-3-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714972
(1R,2S,3R,4R)-7-propan-2-ylidene-3-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714971
(1S,2S,3S,4S)-7-propan-2-ylidene-3-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98297384
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide (CID 11895791) is cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide is CCCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is VLVMVGHDVLOQMO-SLEUVZQESA-N. The full InChI is InChI=1S/C16H23NO/c1-4-5-13-6-8-14(9-7-13)12(3)17-16(18)15-10-11(15)2/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,17,18)/t11-,12-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.47, 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-[(1S)-1-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11895791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).