N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide

C19H29NO — CID 729635

IUPACN-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3,(H,20,21)
InChIKeyPPFGACYHTNLPBH-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.45
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide

N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 729635) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID729635
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3,(H,20,21)
InChIKeyPPFGACYHTNLPBH-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
2-(cyclohexanecarbonylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 1287138
N'-[(6S)-2,6-di(propan-2-yl)cyclohexyl]-N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboximidamide
CID 58114908
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide (CID 729635) is N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is PPFGACYHTNLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)16-11-8-12-17(14(3)4)18(16)20-19(21)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3,(H,20,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide?
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 287.45 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 729635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).