N-heptan-4-yl-N-pentan-2-ylbutanamide

C16H33NO — CID 89281529

IUPACN-heptan-4-yl-N-pentan-2-ylbutanamide
SMILESCCCC(=O)N(C(C)CCC)C(CCC)CCC
InChIInChI=1S/C16H33NO/c1-6-10-14(5)17(16(18)13-9-4)15(11-7-2)12-8-3/h14-15H,6-13H2,1-5H3
InChIKeyJZWCEIYHESTCPQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.77
Rot. Bonds10

About N-heptan-4-yl-N-pentan-2-ylbutanamide

N-heptan-4-yl-N-pentan-2-ylbutanamide (PubChem CID 89281529) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-heptan-4-yl-N-pentan-2-ylbutanamide.

Molecular Properties

Compound NameN-heptan-4-yl-N-pentan-2-ylbutanamide
PubChem CID89281529
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-heptan-4-yl-N-pentan-2-ylbutanamide
SMILESCCCC(=O)N(C(C)CCC)C(CCC)CCC
InChIInChI=1S/C16H33NO/c1-6-10-14(5)17(16(18)13-9-4)15(11-7-2)12-8-3/h14-15H,6-13H2,1-5H3
InChIKeyJZWCEIYHESTCPQ-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-di(heptan-4-yl)butanamide
CID 89281674
N,N-dibromobutanamide
CID 154147629
di(hexan-3-yl)carbamic acid
CID 88787380
N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide
CID 71107043
N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide
CID 18735616
N-acetyl-N-pentan-2-ylpropanamide
CID 176989960
N,N-dimethylbutanamide;hydrochloride
CID 87498306
butanoic acid;2-methylpentane
CID 87252946
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
N,N-dihydroxypentan-2-amine
CID 87329779

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-N-pentan-2-ylbutanamide?
The IUPAC name of N-heptan-4-yl-N-pentan-2-ylbutanamide (CID 89281529) is N-heptan-4-yl-N-pentan-2-ylbutanamide.
What is the SMILES notation for N-heptan-4-yl-N-pentan-2-ylbutanamide?
The canonical SMILES for N-heptan-4-yl-N-pentan-2-ylbutanamide is CCCC(=O)N(C(C)CCC)C(CCC)CCC.
What is the InChIKey of N-heptan-4-yl-N-pentan-2-ylbutanamide?
The InChIKey is JZWCEIYHESTCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-10-14(5)17(16(18)13-9-4)15(11-7-2)12-8-3/h14-15H,6-13H2,1-5H3.
What are the key properties of N-heptan-4-yl-N-pentan-2-ylbutanamide?
N-heptan-4-yl-N-pentan-2-ylbutanamide has a molecular weight of 255.45 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-N-pentan-2-ylbutanamide is sourced from PubChem (CID 89281529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).