(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide

C17H25NO2 — CID 158561638

IUPAC(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)CC(=O)C1=CCC=C1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15/h6,10-11,13-14H,3-5,7-9,12H2,1-2H3/t13-/m0/s1
InChIKeyPIKDPISXJTWTKN-ZDUSSCGKSA-N
MW275.39 g/mol
LogP3.12
Rot. Bonds5

About (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide

(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide (PubChem CID 158561638) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide
PubChem CID158561638
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)CC(=O)C1=CCC=C1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15/h6,10-11,13-14H,3-5,7-9,12H2,1-2H3/t13-/m0/s1
InChIKeyPIKDPISXJTWTKN-ZDUSSCGKSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-3-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)cyclohexyl]-N-methylacetamide
CID 153602395
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CID 10946553
(4aS)-1,4a-dimethyl-7-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5,6-dihydronaphthalen-2-one
CID 11822686
N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide
CID 71033344
(2R)-3-[2-acetyl-4-(3,3-dimethylbut-1-ynyl)cyclopenta-1,4-dien-1-yl]-N,2-dimethyl-4-(4-methylcyclohexyl)-4-oxo-N-propylbutanamide
CID 89705894
1-[3-(5-Methyl-11-tricyclo[5.4.1.18,10]trideca-1,3,5,7(12)-tetraenyl)propanoyl]-2,3-dihydropyridin-6-one
CID 90696159
N-methyl-N-[[5-(4-methyl-5-oxohept-6-enyl)cyclohepten-1-yl]methyl]prop-2-enamide
CID 132159707
5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
CID 138509992
N-[[4-(4,6-dimethyl-5-oxohept-6-enyl)cyclohexa-1,3-dien-1-yl]methyl]-N,2-dimethylprop-2-enamide
CID 139469922
N,2-dimethyl-N-[(5R,10E)-5,9,13-trimethyl-4-(3-methyl-2-oxobut-3-enyl)-12-oxotetradeca-10,13-dienyl]prop-2-enamide
CID 142235962
ethane;N-[3-[1-hexan-3-yl-2-methyl-4-oxo-3-[(1Z,3Z)-penta-1,3-dienyl]cyclopent-2-en-1-yl]butyl]-N-methylformamide;propane
CID 142371773
(E,4R)-1-[(2S,3R)-1-[(2S)-2-cyclohexylpropanoyl]-3-methylpyrrolidin-2-yl]-4-propylhept-2-ene-1,5,6-trione
CID 143355408

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide (CID 158561638) is (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide is C[C@H](C(=O)N(C)CC(=O)C1=CCC=C1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide?
The InChIKey is PIKDPISXJTWTKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15/h6,10-11,13-14H,3-5,7-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide?
(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide has a molecular weight of 275.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide is sourced from PubChem (CID 158561638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).