1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide

C19H28N2O2 — CID 95086493

IUPAC1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(c2ccc(NC(C)=O)cc2)CCCCC1
InChIInChI=1S/C19H28N2O2/c1-4-14(2)20-18(23)19(12-6-5-7-13-19)16-8-10-17(11-9-16)21-15(3)22/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyIKCPCRZXRAFKBJ-CQSZACIVSA-N
MW316.45 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide

1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide (PubChem CID 95086493) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
PubChem CID95086493
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
SMILESCC[C@@H](C)NC(=O)C1(c2ccc(NC(C)=O)cc2)CCCCC1
InChIInChI=1S/C19H28N2O2/c1-4-14(2)20-18(23)19(12-6-5-7-13-19)16-8-10-17(11-9-16)21-15(3)22/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyIKCPCRZXRAFKBJ-CQSZACIVSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
CID 50821478
N-[(2R)-butan-2-yl]-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895376
1-(4-tert-butylphenyl)-N-(1-hydroxypropan-2-yl)cyclohexane-1-carboxamide
CID 112818275
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624
N-[(2S)-butan-2-yl]-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92503889
N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
CID 53110395
1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 53110383

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide (CID 95086493) is 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide is CC[C@@H](C)NC(=O)C1(c2ccc(NC(C)=O)cc2)CCCCC1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is IKCPCRZXRAFKBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-14(2)20-18(23)19(12-6-5-7-13-19)16-8-10-17(11-9-16)21-15(3)22/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide?
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 95086493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).