N-heptyl-N'-(3-methylbutyl)butanediamide

C16H32N2O2 — CID 5167475

IUPACN-heptyl-N'-(3-methylbutyl)butanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCC(C)C
InChIInChI=1S/C16H32N2O2/c1-4-5-6-7-8-12-17-15(19)9-10-16(20)18-13-11-14(2)3/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVGCGYCBYWDCNLH-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.02
Rot. Bonds12

About N-heptyl-N'-(3-methylbutyl)butanediamide

N-heptyl-N'-(3-methylbutyl)butanediamide (PubChem CID 5167475) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-heptyl-N'-(3-methylbutyl)butanediamide.

Molecular Properties

Compound NameN-heptyl-N'-(3-methylbutyl)butanediamide
PubChem CID5167475
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-heptyl-N'-(3-methylbutyl)butanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCC(C)C
InChIInChI=1S/C16H32N2O2/c1-4-5-6-7-8-12-17-15(19)9-10-16(20)18-13-11-14(2)3/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVGCGYCBYWDCNLH-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-heptyl-N'-(3-methylbutyl)butanediamide?
The IUPAC name of N-heptyl-N'-(3-methylbutyl)butanediamide (CID 5167475) is N-heptyl-N'-(3-methylbutyl)butanediamide.
What is the SMILES notation for N-heptyl-N'-(3-methylbutyl)butanediamide?
The canonical SMILES for N-heptyl-N'-(3-methylbutyl)butanediamide is CCCCCCCNC(=O)CCC(=O)NCCC(C)C.
What is the InChIKey of N-heptyl-N'-(3-methylbutyl)butanediamide?
The InChIKey is VGCGYCBYWDCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-5-6-7-8-12-17-15(19)9-10-16(20)18-13-11-14(2)3/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-heptyl-N'-(3-methylbutyl)butanediamide?
N-heptyl-N'-(3-methylbutyl)butanediamide has a molecular weight of 284.44 g/mol, XLogP of 3.02, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N'-(3-methylbutyl)butanediamide is sourced from PubChem (CID 5167475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).