4-methyl-N-(6-methylheptyl)pentanamide

C14H29NO — CID 129055781

IUPAC4-methyl-N-(6-methylheptyl)pentanamide
SMILESCC(C)CCCCCNC(=O)CCC(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-6-5-7-11-15-14(16)10-9-13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyBIYUQUVQAAGQKX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.76
Rot. Bonds9

About 4-methyl-N-(6-methylheptyl)pentanamide

4-methyl-N-(6-methylheptyl)pentanamide (PubChem CID 129055781) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-N-(6-methylheptyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(6-methylheptyl)pentanamide
PubChem CID129055781
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-N-(6-methylheptyl)pentanamide
SMILESCC(C)CCCCCNC(=O)CCC(C)C
InChIInChI=1S/C14H29NO/c1-12(2)8-6-5-7-11-15-14(16)10-9-13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyBIYUQUVQAAGQKX-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.76
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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Related Compounds

4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-hexyl-6-methylheptanamide
CID 141197249
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
N-butyl-7-methyloctanamide
CID 154028337
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide
CID 176567984
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methylheptyl)pentanamide?
The IUPAC name of 4-methyl-N-(6-methylheptyl)pentanamide (CID 129055781) is 4-methyl-N-(6-methylheptyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(6-methylheptyl)pentanamide?
The canonical SMILES for 4-methyl-N-(6-methylheptyl)pentanamide is CC(C)CCCCCNC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-(6-methylheptyl)pentanamide?
The InChIKey is BIYUQUVQAAGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)8-6-5-7-11-15-14(16)10-9-13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-N-(6-methylheptyl)pentanamide?
4-methyl-N-(6-methylheptyl)pentanamide has a molecular weight of 227.39 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methylheptyl)pentanamide is sourced from PubChem (CID 129055781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).