2-methyl-N-phenacylcyclopropane-1-carboxamide

C13H15NO2 — CID 64991605

IUPAC2-methyl-N-phenacylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-9-7-11(9)13(16)14-8-12(15)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,16)
InChIKeyGXNHHAJTNWJCTN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-N-phenacylcyclopropane-1-carboxamide

2-methyl-N-phenacylcyclopropane-1-carboxamide (PubChem CID 64991605) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-N-phenacylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenacylcyclopropane-1-carboxamide
PubChem CID64991605
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-methyl-N-phenacylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-9-7-11(9)13(16)14-8-12(15)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,16)
InChIKeyGXNHHAJTNWJCTN-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
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
N-phenacylcyclohexanecarboxamide
CID 54070217
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
CID 43404745
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate
CID 102440162
methyl (2S)-2-methyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenylpropanoate
CID 100676193
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenacylcyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-phenacylcyclopropane-1-carboxamide (CID 64991605) is 2-methyl-N-phenacylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-phenacylcyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-phenacylcyclopropane-1-carboxamide is CC1CC1C(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 2-methyl-N-phenacylcyclopropane-1-carboxamide?
The InChIKey is GXNHHAJTNWJCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-7-11(9)13(16)14-8-12(15)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,16).
What are the key properties of 2-methyl-N-phenacylcyclopropane-1-carboxamide?
2-methyl-N-phenacylcyclopropane-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenacylcyclopropane-1-carboxamide is sourced from PubChem (CID 64991605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).