N,N-di(heptan-4-yl)butanamide

C18H37NO — CID 89281674

IUPACN,N-di(heptan-4-yl)butanamide
SMILESCCCC(=O)N(C(CCC)CCC)C(CCC)CCC
InChIInChI=1S/C18H37NO/c1-6-11-16(12-7-2)19(18(20)15-10-5)17(13-8-3)14-9-4/h16-17H,6-15H2,1-5H3
InChIKeyCEQWILSPROBIGU-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.55
Rot. Bonds12

About N,N-di(heptan-4-yl)butanamide

N,N-di(heptan-4-yl)butanamide (PubChem CID 89281674) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N-di(heptan-4-yl)butanamide.

Molecular Properties

Compound NameN,N-di(heptan-4-yl)butanamide
PubChem CID89281674
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN,N-di(heptan-4-yl)butanamide
SMILESCCCC(=O)N(C(CCC)CCC)C(CCC)CCC
InChIInChI=1S/C18H37NO/c1-6-11-16(12-7-2)19(18(20)15-10-5)17(13-8-3)14-9-4/h16-17H,6-15H2,1-5H3
InChIKeyCEQWILSPROBIGU-UHFFFAOYSA-N
XLogP5.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-di(heptan-4-yl)butanamide?
The IUPAC name of N,N-di(heptan-4-yl)butanamide (CID 89281674) is N,N-di(heptan-4-yl)butanamide.
What is the SMILES notation for N,N-di(heptan-4-yl)butanamide?
The canonical SMILES for N,N-di(heptan-4-yl)butanamide is CCCC(=O)N(C(CCC)CCC)C(CCC)CCC.
What is the InChIKey of N,N-di(heptan-4-yl)butanamide?
The InChIKey is CEQWILSPROBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-11-16(12-7-2)19(18(20)15-10-5)17(13-8-3)14-9-4/h16-17H,6-15H2,1-5H3.
What are the key properties of N,N-di(heptan-4-yl)butanamide?
N,N-di(heptan-4-yl)butanamide has a molecular weight of 283.50 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(heptan-4-yl)butanamide is sourced from PubChem (CID 89281674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).