trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C15H21NO — CID 11922406

IUPACtrans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c1
InChIInChI=1S/C15H21NO/c1-9-5-6-10(2)13(7-9)12(4)16-15(17)14-8-11(14)3/h5-7,11-12,14H,8H2,1-4H3,(H,16,17)/t11-,12-,14-/m0/s1
InChIKeyDTNMDRGGBPTCIP-OBJOEFQTSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds3

About trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 11922406) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID11922406
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nametrans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c1
InChIInChI=1S/C15H21NO/c1-9-5-6-10(2)13(7-9)12(4)16-15(17)14-8-11(14)3/h5-7,11-12,14H,8H2,1-4H3,(H,16,17)/t11-,12-,14-/m0/s1
InChIKeyDTNMDRGGBPTCIP-OBJOEFQTSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54868401
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319
cis-(1S,2R)-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11922211
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61180295
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
(2S,3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93239792
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 167955086
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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 11922406) is trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c1.
What is the InChIKey of trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is DTNMDRGGBPTCIP-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H21NO/c1-9-5-6-10(2)13(7-9)12(4)16-15(17)14-8-11(14)3/h5-7,11-12,14H,8H2,1-4H3,(H,16,17)/t11-,12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 11922406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).