N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide

C15H27NO3 — CID 146358733

IUPACN-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide
SMILESCC(C)CC(=O)N(C=O)CCCCCC(=O)C(C)C
InChIInChI=1S/C15H27NO3/c1-12(2)10-15(19)16(11-17)9-7-5-6-8-14(18)13(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWKMMFSSVQNRJBT-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.80
Rot. Bonds10

About N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide

N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide (PubChem CID 146358733) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide.

Molecular Properties

Compound NameN-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide
PubChem CID146358733
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide
SMILESCC(C)CC(=O)N(C=O)CCCCCC(=O)C(C)C
InChIInChI=1S/C15H27NO3/c1-12(2)10-15(19)16(11-17)9-7-5-6-8-14(18)13(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWKMMFSSVQNRJBT-UHFFFAOYSA-N
XLogP2.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[formyl(3-methylbutanoyl)amino]hexanoyl fluoride
CID 171520087
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
N,2-dimethyl-N-(7-methyl-6-oxooctyl)-4-oxobutanamide
CID 146665726
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
9-methyl-8-oxodecanamide
CID 168891746
2-methylhexadecan-3-one
CID 58030381
14-methylpentadecane-2,13-dione
CID 88544438
6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
CID 156883011
methane;N-(10-methyl-9-oxoundecyl)formamide
CID 176664599
N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane
CID 176691371

Frequently Asked Questions

What is the IUPAC name of N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide?
The IUPAC name of N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide (CID 146358733) is N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide.
What is the SMILES notation for N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide?
The canonical SMILES for N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide is CC(C)CC(=O)N(C=O)CCCCCC(=O)C(C)C.
What is the InChIKey of N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide?
The InChIKey is WKMMFSSVQNRJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)10-15(19)16(11-17)9-7-5-6-8-14(18)13(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide?
N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide has a molecular weight of 269.38 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide is sourced from PubChem (CID 146358733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).