3-methyl-N-(5-methylheptyl)pentanamide

C14H29NO — CID 177365994

IUPAC3-methyl-N-(5-methylheptyl)pentanamide
SMILESCCC(C)CCCCNC(=O)CC(C)CC
InChIInChI=1S/C14H29NO/c1-5-12(3)9-7-8-10-15-14(16)11-13(4)6-2/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyFUDSWKSOKFEUBA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.76
Rot. Bonds9

About 3-methyl-N-(5-methylheptyl)pentanamide

3-methyl-N-(5-methylheptyl)pentanamide (PubChem CID 177365994) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-N-(5-methylheptyl)pentanamide.

Molecular Properties

Compound Name3-methyl-N-(5-methylheptyl)pentanamide
PubChem CID177365994
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-N-(5-methylheptyl)pentanamide
SMILESCCC(C)CCCCNC(=O)CC(C)CC
InChIInChI=1S/C14H29NO/c1-5-12(3)9-7-8-10-15-14(16)11-13(4)6-2/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyFUDSWKSOKFEUBA-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

N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
4-methyl-N-tridecylhexanamide
CID 89162842
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
4-methylhexylurea
CID 59582725
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylheptyl)pentanamide?
The IUPAC name of 3-methyl-N-(5-methylheptyl)pentanamide (CID 177365994) is 3-methyl-N-(5-methylheptyl)pentanamide.
What is the SMILES notation for 3-methyl-N-(5-methylheptyl)pentanamide?
The canonical SMILES for 3-methyl-N-(5-methylheptyl)pentanamide is CCC(C)CCCCNC(=O)CC(C)CC.
What is the InChIKey of 3-methyl-N-(5-methylheptyl)pentanamide?
The InChIKey is FUDSWKSOKFEUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(3)9-7-8-10-15-14(16)11-13(4)6-2/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-N-(5-methylheptyl)pentanamide?
3-methyl-N-(5-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 3-methyl-N-(5-methylheptyl)pentanamide is sourced from PubChem (CID 177365994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).