N-(3-methylbutyl)tridecanamide

C18H37NO — CID 122222790

IUPACN-(3-methylbutyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NCCC(C)C
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-18(20)19-16-15-17(2)3/h17H,4-16H2,1-3H3,(H,19,20)
InChIKeyNHIPIGXCJWQVRH-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.46
Rot. Bonds14

About N-(3-methylbutyl)tridecanamide

N-(3-methylbutyl)tridecanamide (PubChem CID 122222790) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-(3-methylbutyl)tridecanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)tridecanamide
PubChem CID122222790
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-(3-methylbutyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NCCC(C)C
InChIInChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-18(20)19-16-15-17(2)3/h17H,4-16H2,1-3H3,(H,19,20)
InChIKeyNHIPIGXCJWQVRH-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)tridecanamide?
The IUPAC name of N-(3-methylbutyl)tridecanamide (CID 122222790) is N-(3-methylbutyl)tridecanamide.
What is the SMILES notation for N-(3-methylbutyl)tridecanamide?
The canonical SMILES for N-(3-methylbutyl)tridecanamide is CCCCCCCCCCCCC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)tridecanamide?
The InChIKey is NHIPIGXCJWQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-18(20)19-16-15-17(2)3/h17H,4-16H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methylbutyl)tridecanamide?
N-(3-methylbutyl)tridecanamide has a molecular weight of 283.50 g/mol, XLogP of 5.46, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)tridecanamide is sourced from PubChem (CID 122222790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).