5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide

C19H29NO — CID 68625601

IUPAC5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C19H29NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)
InChIKeyNEKQQRBWRFVKGO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.05
Rot. Bonds5

About 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide

5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 68625601) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID68625601
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C19H29NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)
InChIKeyNEKQQRBWRFVKGO-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.05
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
(1R,2S,5R)-N-[2-(3-hydroxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992196
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
methyl 3-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]benzoate
CID 164537973
N-[2-(2-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831515
trans-(1R,5R)-N-[2-(2-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477186
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
methyl 2-[2-[[(1R,2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]benzoate
CID 167121819
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
(1R,2S,5R)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992202
methyl 2-amino-3-[2-[2-[[(1R,2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenyl]propanoate
CID 167121766
(1R,2R,5S)-N-[2-(N-(2-aminoacetyl)anilino)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 24996015

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide (CID 68625601) is 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NEKQQRBWRFVKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21).
What are the key properties of 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide?
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 287.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 68625601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).