2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C17H22N2O2 — CID 21338970

IUPAC2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(CC(C)C(=O)N2C(C(N)=O)CC3CC32)cc1
InChIInChI=1S/C17H22N2O2/c1-10-3-5-12(6-4-10)7-11(2)17(21)19-14-8-13(14)9-15(19)16(18)20/h3-6,11,13-15H,7-9H2,1-2H3,(H2,18,20)
InChIKeySRWFTVDKCYXOQD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 21338970) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID21338970
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(CC(C)C(=O)N2C(C(N)=O)CC3CC32)cc1
InChIInChI=1S/C17H22N2O2/c1-10-3-5-12(6-4-10)7-11(2)17(21)19-14-8-13(14)9-15(19)16(18)20/h3-6,11,13-15H,7-9H2,1-2H3,(H2,18,20)
InChIKeySRWFTVDKCYXOQD-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 152752895
(2R,3aR,6R,7aR)-6-hydroxy-1-[(2R)-2-[[(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 11762312
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
CID 172940678
(2S,3S)-2-methyl-1-[2-methyl-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122116521
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
(1S,3S,5S)-2-benzyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 68534665
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 21338970) is 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is Cc1ccc(CC(C)C(=O)N2C(C(N)=O)CC3CC32)cc1.
What is the InChIKey of 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SRWFTVDKCYXOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-3-5-12(6-4-10)7-11(2)17(21)19-14-8-13(14)9-15(19)16(18)20/h3-6,11,13-15H,7-9H2,1-2H3,(H2,18,20).
What are the key properties of 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(4-methylphenyl)propanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 21338970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).