N-(4-heptylphenyl)heptanamide

C20H33NO — CID 101077737

IUPACN-(4-heptylphenyl)heptanamide
SMILESCCCCCCCc1ccc(NC(=O)CCCCCC)cc1
InChIInChI=1S/C20H33NO/c1-3-5-7-9-10-12-18-14-16-19(17-15-18)21-20(22)13-11-8-6-4-2/h14-17H,3-13H2,1-2H3,(H,21,22)
InChIKeyKSCABACRGCHUED-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.11
Rot. Bonds12

About N-(4-heptylphenyl)heptanamide

N-(4-heptylphenyl)heptanamide (PubChem CID 101077737) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(4-heptylphenyl)heptanamide.

Molecular Properties

Compound NameN-(4-heptylphenyl)heptanamide
PubChem CID101077737
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(4-heptylphenyl)heptanamide
SMILESCCCCCCCc1ccc(NC(=O)CCCCCC)cc1
InChIInChI=1S/C20H33NO/c1-3-5-7-9-10-12-18-14-16-19(17-15-18)21-20(22)13-11-8-6-4-2/h14-17H,3-13H2,1-2H3,(H,21,22)
InChIKeyKSCABACRGCHUED-UHFFFAOYSA-N
XLogP6.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-dodecylphenyl)-6-[4-[4-(prop-2-enoylamino)phenyl]butanoylamino]hexanamide
CID 67517696
N-(4-acetamidophenyl)hexanamide
CID 4953736
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
N-(4-chlorophenyl)tridecanamide
CID 4195215
4-chloro-N-(4-heptylphenyl)-3-oxobutanamide
CID 86085625
N-phenylheptatetracontanamide
CID 150503307

Frequently Asked Questions

What is the IUPAC name of N-(4-heptylphenyl)heptanamide?
The IUPAC name of N-(4-heptylphenyl)heptanamide (CID 101077737) is N-(4-heptylphenyl)heptanamide.
What is the SMILES notation for N-(4-heptylphenyl)heptanamide?
The canonical SMILES for N-(4-heptylphenyl)heptanamide is CCCCCCCc1ccc(NC(=O)CCCCCC)cc1.
What is the InChIKey of N-(4-heptylphenyl)heptanamide?
The InChIKey is KSCABACRGCHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-5-7-9-10-12-18-14-16-19(17-15-18)21-20(22)13-11-8-6-4-2/h14-17H,3-13H2,1-2H3,(H,21,22).
What are the key properties of N-(4-heptylphenyl)heptanamide?
N-(4-heptylphenyl)heptanamide has a molecular weight of 303.49 g/mol, XLogP of 6.11, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptylphenyl)heptanamide is sourced from PubChem (CID 101077737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).