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

C18H27NO — CID 21079958

IUPACN-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27NO/c1-13(2)16-10-9-14(3)11-17(16)18(20)19-12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,19,20)
InChIKeyGZUUJHZWINXBDB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.01
Rot. Bonds4

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

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 21079958) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID21079958
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27NO/c1-13(2)16-10-9-14(3)11-17(16)18(20)19-12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,19,20)
InChIKeyGZUUJHZWINXBDB-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
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?
The IUPAC name of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 21079958) is N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is GZUUJHZWINXBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)16-10-9-14(3)11-17(16)18(20)19-12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,19,20).
What are the key properties of N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.01, 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 is sourced from PubChem (CID 21079958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).