N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide

C11H21NO2 — CID 137397134

IUPACN-formyl-3,4-dimethyl-N-propan-2-ylpentanamide
SMILESCC(C)C(C)CC(=O)N(C=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)10(5)6-11(14)12(7-13)9(3)4/h7-10H,6H2,1-5H3
InChIKeyZPKBGGIIOWBOQS-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.06
Rot. Bonds5

About N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide

N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide (PubChem CID 137397134) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-formyl-3,4-dimethyl-N-propan-2-ylpentanamide
PubChem CID137397134
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-formyl-3,4-dimethyl-N-propan-2-ylpentanamide
SMILESCC(C)C(C)CC(=O)N(C=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)10(5)6-11(14)12(7-13)9(3)4/h7-10H,6H2,1-5H3
InChIKeyZPKBGGIIOWBOQS-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.06
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

N-[3-amino-1-(methylamino)-1-oxopropan-2-yl]-N-formyl-3,4-dimethyl-4-sulfanylpentanamide
CID 145098328
4,5-dimethylhex-1-en-2-amine
CID 129255783
methyl 3,4-dimethylpentanoate
CID 554058
N-(2,3-dimethylbutyl)-N-methylformamide
CID 54514988
N-formyl-N,3-dimethylpentanamide
CID 142974327
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
4,5-dimethyl-2-methylidenehexanoic acid
CID 88826259
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097
N-(2-oxopropyl)-N-propan-2-ylformamide
CID 91405611
4-amino-N,N,3-trimethylpentanamide
CID 102537836
3,4,5-trimethyl-7-oxooctanal
CID 87219709

Frequently Asked Questions

What is the IUPAC name of N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide (CID 137397134) is N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide is CC(C)C(C)CC(=O)N(C=O)C(C)C.
What is the InChIKey of N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide?
The InChIKey is ZPKBGGIIOWBOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(5)6-11(14)12(7-13)9(3)4/h7-10H,6H2,1-5H3.
What are the key properties of N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide?
N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 199.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-3,4-dimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 137397134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).