(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide

C17H31NO — CID 58650855

IUPAC(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CC[C@H](C(C)C)C(C(C)C)C1C(C)C
InChIInChI=1S/C17H31NO/c1-10(2)13-8-9-14(17(19)18-7)16(12(5)6)15(13)11(3)4/h9-13,15-16H,8H2,1-7H3,(H,18,19)/t13-,15?,16?/m1/s1
InChIKeyDOKGSEZDJUPTAZ-IUDNXUCKSA-N
MW265.44 g/mol
LogP3.88
Rot. Bonds4

About (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide

(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide (PubChem CID 58650855) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide
PubChem CID58650855
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide
SMILESCNC(=O)C1=CC[C@H](C(C)C)C(C(C)C)C1C(C)C
InChIInChI=1S/C17H31NO/c1-10(2)13-8-9-14(17(19)18-7)16(12(5)6)15(13)11(3)4/h9-13,15-16H,8H2,1-7H3,(H,18,19)/t13-,15?,16?/m1/s1
InChIKeyDOKGSEZDJUPTAZ-IUDNXUCKSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R,5R,6S)-N-(2-methylpropyl)-5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
CID 11259394
(1S,4R,5R,6S)-N-(2-methylpropyl)-6-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,5-dipentylcyclohex-2-ene-1-carboxamide
CID 53243800
N-(2-methylpropyl)-5-[3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
CID 72773054
N-methylcyclohexene-1-carboxamide
CID 12587286
N-methylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030439
4-fluoro-N,5-dimethylcyclohexene-1-carboxamide
CID 70191204
5-fluoro-3-[(2R)-heptan-2-yl]-1H-pyridin-2-one
CID 70802318
N-[(Z,5R)-5-fluoro-2-methylhept-3-enyl]-4,4-dimethyl-5-(3-methylbutyl)cyclohexene-1-carboxamide
CID 163774221
N,1-dimethylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 139030440
(6S)-4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
CID 147682958
N,6-dimethyl-3-(trifluoromethyl)cyclohexene-1-carboxamide
CID 159188210
4-fluoro-N-methyl-6-(trifluoromethyl)cyclohexene-1-carboxamide
CID 162577247

Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide?
The IUPAC name of (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide (CID 58650855) is (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide?
The canonical SMILES for (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide is CNC(=O)C1=CC[C@H](C(C)C)C(C(C)C)C1C(C)C.
What is the InChIKey of (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide?
The InChIKey is DOKGSEZDJUPTAZ-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H31NO/c1-10(2)13-8-9-14(17(19)18-7)16(12(5)6)15(13)11(3)4/h9-13,15-16H,8H2,1-7H3,(H,18,19)/t13-,15?,16?/m1/s1.
What are the key properties of (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide?
(4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide has a molecular weight of 265.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-4,5,6-tri(propan-2-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 58650855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).