N-formyl-N,3-dimethylpentanamide

C8H15NO2 — CID 142974327

IUPACN-formyl-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)C=O
InChIInChI=1S/C8H15NO2/c1-4-7(2)5-8(11)9(3)6-10/h6-7H,4-5H2,1-3H3
InChIKeyKCSIGRDMMZRMKI-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.04
Rot. Bonds4

About N-formyl-N,3-dimethylpentanamide

N-formyl-N,3-dimethylpentanamide (PubChem CID 142974327) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-formyl-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-formyl-N,3-dimethylpentanamide
PubChem CID142974327
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-formyl-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)C=O
InChIInChI=1S/C8H15NO2/c1-4-7(2)5-8(11)9(3)6-10/h6-7H,4-5H2,1-3H3
InChIKeyKCSIGRDMMZRMKI-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-formyl-N-methylacetamide
CID 174934557
N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
N,3-dimethyl-N-phenylpentanamide
CID 147359069
N-(2-cyanopropyl)-N,3-dimethylpentanamide
CID 114874726
ethyl (3R)-3-methylpentanoate
CID 7567160
N-(5-aminopentyl)-N,3-dimethylpentanamide
CID 107206770
2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
CID 114873698
(5R)-5-methylheptan-3-one
CID 6566014
N-formyl-N-methyl-3-sulfanylidenepropanamide
CID 123392324
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
N-(2-chloro-3-methoxypropyl)-N,3-dimethylpentanamide
CID 114876844
N-formyl-N-methyl-2-methylsulfanylbutanamide
CID 146207261

Frequently Asked Questions

What is the IUPAC name of N-formyl-N,3-dimethylpentanamide?
The IUPAC name of N-formyl-N,3-dimethylpentanamide (CID 142974327) is N-formyl-N,3-dimethylpentanamide.
What is the SMILES notation for N-formyl-N,3-dimethylpentanamide?
The canonical SMILES for N-formyl-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)C=O.
What is the InChIKey of N-formyl-N,3-dimethylpentanamide?
The InChIKey is KCSIGRDMMZRMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(2)5-8(11)9(3)6-10/h6-7H,4-5H2,1-3H3.
What are the key properties of N-formyl-N,3-dimethylpentanamide?
N-formyl-N,3-dimethylpentanamide has a molecular weight of 157.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N,3-dimethylpentanamide is sourced from PubChem (CID 142974327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).