N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide

C19H27NO3 — CID 94763152

IUPACN-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide
SMILESCC(=O)c1ccc(OCC(C)C)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H27NO3/c1-13(2)12-23-18-10-9-16(14(3)21)11-17(18)20-19(22)15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22)
InChIKeyJNWDKNAIUCZMEY-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.44
Rot. Bonds6

About N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide

N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide (PubChem CID 94763152) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide
PubChem CID94763152
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide
SMILESCC(=O)c1ccc(OCC(C)C)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H27NO3/c1-13(2)12-23-18-10-9-16(14(3)21)11-17(18)20-19(22)15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22)
InChIKeyJNWDKNAIUCZMEY-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 82156444
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-[5-acetyl-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroacetamide
CID 82156457
4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 60928509
3-(carbamothioylamino)-4-(2-methylpropoxy)benzoic acid
CID 169357649
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 72902474
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide
CID 118877989

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide (CID 94763152) is N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide is CC(=O)c1ccc(OCC(C)C)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide?
The InChIKey is JNWDKNAIUCZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13(2)12-23-18-10-9-16(14(3)21)11-17(18)20-19(22)15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22).
What are the key properties of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide?
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide has a molecular weight of 317.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 94763152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).