N-(2-benzylheptyl)-4-methylpentanamide

C20H33NO — CID 176730327

IUPACN-(2-benzylheptyl)-4-methylpentanamide
SMILESCCCCCC(CNC(=O)CCC(C)C)Cc1ccccc1
InChIInChI=1S/C20H33NO/c1-4-5-7-12-19(15-18-10-8-6-9-11-18)16-21-20(22)14-13-17(2)3/h6,8-11,17,19H,4-5,7,12-16H2,1-3H3,(H,21,22)
InChIKeyKMEHIWLDLUQJRE-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.98
Rot. Bonds11

About N-(2-benzylheptyl)-4-methylpentanamide

N-(2-benzylheptyl)-4-methylpentanamide (PubChem CID 176730327) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(2-benzylheptyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-benzylheptyl)-4-methylpentanamide
PubChem CID176730327
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(2-benzylheptyl)-4-methylpentanamide
SMILESCCCCCC(CNC(=O)CCC(C)C)Cc1ccccc1
InChIInChI=1S/C20H33NO/c1-4-5-7-12-19(15-18-10-8-6-9-11-18)16-21-20(22)14-13-17(2)3/h6,8-11,17,19H,4-5,7,12-16H2,1-3H3,(H,21,22)
InChIKeyKMEHIWLDLUQJRE-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.98
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

N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
2-benzyl-N-methyldecan-1-amine
CID 63498488
4-benzyldodecanoic acid;N-methylmethanamine
CID 138628491
methyl 6-benzylundecanoate
CID 58960739
2-benzyltetradecylbenzene
CID 22920205
2-benzyl-N-propylheptan-1-amine
CID 63496184
4-benzyl-N-cyclohexylnonanamide
CID 176730329
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-benzyloctadecan-1-ol
CID 67814123
2-benzyl-N-methylhexan-1-amine
CID 62529253
(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
CID 142497406

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylheptyl)-4-methylpentanamide?
The IUPAC name of N-(2-benzylheptyl)-4-methylpentanamide (CID 176730327) is N-(2-benzylheptyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-benzylheptyl)-4-methylpentanamide?
The canonical SMILES for N-(2-benzylheptyl)-4-methylpentanamide is CCCCCC(CNC(=O)CCC(C)C)Cc1ccccc1.
What is the InChIKey of N-(2-benzylheptyl)-4-methylpentanamide?
The InChIKey is KMEHIWLDLUQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-5-7-12-19(15-18-10-8-6-9-11-18)16-21-20(22)14-13-17(2)3/h6,8-11,17,19H,4-5,7,12-16H2,1-3H3,(H,21,22).
What are the key properties of N-(2-benzylheptyl)-4-methylpentanamide?
N-(2-benzylheptyl)-4-methylpentanamide has a molecular weight of 303.49 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylheptyl)-4-methylpentanamide is sourced from PubChem (CID 176730327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).