N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane

C24H45NO — CID 91604695

IUPACN-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
SMILESCC.CC.CC.CC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27NO.3C2H6/c1-13(2)16-10-9-14(3)11-17(16)18(20)19-12-15-7-5-4-6-8-15;3*1-2/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,19,20);3*1-2H3
InChIKeyQBQSEOFZXIEEJR-UHFFFAOYSA-N
MW363.63 g/mol
LogP7.09
Rot. Bonds4

About N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane (PubChem CID 91604695) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
PubChem CID91604695
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC NameN-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
SMILESCC.CC.CC.CC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27NO.3C2H6/c1-13(2)16-10-9-14(3)11-17(16)18(20)19-12-15-7-5-4-6-8-15;3*1-2/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,19,20);3*1-2H3
InChIKeyQBQSEOFZXIEEJR-UHFFFAOYSA-N
XLogP7.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2S,5R)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 164904811
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 164904741
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
(1R,2S,5R)-5-methyl-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylcyclohexane-1-carboxamide;dihydrochloride
CID 164904784
(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide
CID 58850798
(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992353
[(2R)-1-[[(2S)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 135367396
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane?
The IUPAC name of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane (CID 91604695) is N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane.
What is the SMILES notation for N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane?
The canonical SMILES for N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane is CC.CC.CC.CC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane?
The InChIKey is QBQSEOFZXIEEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.3C2H6/c1-13(2)16-10-9-14(3)11-17(16)18(20)19-12-15-7-5-4-6-8-15;3*1-2/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,19,20);3*1-2H3.
What are the key properties of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane?
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane has a molecular weight of 363.63 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 91604695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).