N,N-diheptyl-2-methylpropanamide

C18H37NO — CID 532802

IUPACN,N-diheptyl-2-methylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)C(C)C
InChIInChI=1S/C18H37NO/c1-5-7-9-11-13-15-19(18(20)17(3)4)16-14-12-10-8-6-2/h17H,5-16H2,1-4H3
InChIKeyRLNVEUZTQKJWMH-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.41
Rot. Bonds13

About N,N-diheptyl-2-methylpropanamide

N,N-diheptyl-2-methylpropanamide (PubChem CID 532802) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N-diheptyl-2-methylpropanamide.

Molecular Properties

Compound NameN,N-diheptyl-2-methylpropanamide
PubChem CID532802
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN,N-diheptyl-2-methylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)C(C)C
InChIInChI=1S/C18H37NO/c1-5-7-9-11-13-15-19(18(20)17(3)4)16-14-12-10-8-6-2/h17H,5-16H2,1-4H3
InChIKeyRLNVEUZTQKJWMH-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diheptyl-2-methylpropanamide?
The IUPAC name of N,N-diheptyl-2-methylpropanamide (CID 532802) is N,N-diheptyl-2-methylpropanamide.
What is the SMILES notation for N,N-diheptyl-2-methylpropanamide?
The canonical SMILES for N,N-diheptyl-2-methylpropanamide is CCCCCCCN(CCCCCCC)C(=O)C(C)C.
What is the InChIKey of N,N-diheptyl-2-methylpropanamide?
The InChIKey is RLNVEUZTQKJWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-7-9-11-13-15-19(18(20)17(3)4)16-14-12-10-8-6-2/h17H,5-16H2,1-4H3.
What are the key properties of N,N-diheptyl-2-methylpropanamide?
N,N-diheptyl-2-methylpropanamide has a molecular weight of 283.50 g/mol, XLogP of 5.41, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diheptyl-2-methylpropanamide is sourced from PubChem (CID 532802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).