1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide

C20H31NO2 — CID 112818275

IUPAC1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CO)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/C20H31NO2/c1-15(14-22)21-18(23)20(12-6-5-7-13-20)17-10-8-16(9-11-17)19(2,3)4/h8-11,15,22H,5-7,12-14H2,1-4H3,(H,21,23)
InChIKeyUMSKFZYQBABWIA-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide

1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 112818275) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
PubChem CID112818275
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CO)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/C20H31NO2/c1-15(14-22)21-18(23)20(12-6-5-7-13-20)17-10-8-16(9-11-17)19(2,3)4/h8-11,15,22H,5-7,12-14H2,1-4H3,(H,21,23)
InChIKeyUMSKFZYQBABWIA-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
1-(4-tert-butylphenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclohexane-1-carboxamide
CID 127628139
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78865674
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide (CID 112818275) is 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide is CC(CO)NC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is UMSKFZYQBABWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-15(14-22)21-18(23)20(12-6-5-7-13-20)17-10-8-16(9-11-17)19(2,3)4/h8-11,15,22H,5-7,12-14H2,1-4H3,(H,21,23).
What are the key properties of 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 317.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112818275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).