(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide

C12H15NO — CID 164843692

IUPAC(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO/c1-9-7-11(9)12(14)13-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11?/m0/s1
InChIKeyDBMVYOYQBDNAID-FTNKSUMCSA-N
MW189.26 g/mol
LogP1.96
Rot. Bonds3

About (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide

(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide (PubChem CID 164843692) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
PubChem CID164843692
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO/c1-9-7-11(9)12(14)13-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11?/m0/s1
InChIKeyDBMVYOYQBDNAID-FTNKSUMCSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
trans-[2-(benzylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2093394

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide (CID 164843692) is (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide is C[C@H]1CC1C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is DBMVYOYQBDNAID-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-11(9)12(14)13-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11?/m0/s1.
What are the key properties of (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide?
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 189.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 164843692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).