N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide

C19H31NO — CID 71107043

IUPACN-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide
SMILESCCCC(=O)N(c1cc(C)cc(C)c1)C(CCC)CCC
InChIInChI=1S/C19H31NO/c1-6-9-17(10-7-2)20(19(21)11-8-3)18-13-15(4)12-16(5)14-18/h12-14,17H,6-11H2,1-5H3
InChIKeyHUSXSFRETSXOHP-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.41
Rot. Bonds8

About N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide

N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide (PubChem CID 71107043) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide
PubChem CID71107043
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide
SMILESCCCC(=O)N(c1cc(C)cc(C)c1)C(CCC)CCC
InChIInChI=1S/C19H31NO/c1-6-9-17(10-7-2)20(19(21)11-8-3)18-13-15(4)12-16(5)14-18/h12-14,17H,6-11H2,1-5H3
InChIKeyHUSXSFRETSXOHP-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide (CID 71107043) is N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide is CCCC(=O)N(c1cc(C)cc(C)c1)C(CCC)CCC.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide?
The InChIKey is HUSXSFRETSXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-9-17(10-7-2)20(19(21)11-8-3)18-13-15(4)12-16(5)14-18/h12-14,17H,6-11H2,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide?
N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide has a molecular weight of 289.46 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide is sourced from PubChem (CID 71107043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).