3-methyl-N-propylbutanamide

C8H17NO — CID 528603

IUPAC3-methyl-N-propylbutanamide
SMILESCCCNC(=O)CC(C)C
InChIInChI=1S/C8H17NO/c1-4-5-9-8(10)6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyXBUJEXWMTCJERJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.56
Rot. Bonds4

About 3-methyl-N-propylbutanamide

3-methyl-N-propylbutanamide (PubChem CID 528603) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-N-propylbutanamide.

Molecular Properties

Compound Name3-methyl-N-propylbutanamide
PubChem CID528603
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-N-propylbutanamide
SMILESCCCNC(=O)CC(C)C
InChIInChI=1S/C8H17NO/c1-4-5-9-8(10)6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyXBUJEXWMTCJERJ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-Methylpropyl)hexanimidic acid
CID 239248
N-Isobutylacetamide
CID 137071
N-Hexylbutanamide
CID 25112
N-butylbutanamide
CID 347960
Butanamide, N-(2-methylpropyl)-
CID 346250
N-Isopentylacetamide
CID 98643
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
3-Methylpyrrolidin-2-one
CID 102848
4-Methyl-2-pyrrolidinone
CID 533920
n-Butyl-2-methylpropanamide
CID 221968
N-butan-2-yl-3-methylbutanamide
CID 234387
N-[4-(propanoylamino)butyl]propanamide
CID 2167047

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylbutanamide?
The IUPAC name of 3-methyl-N-propylbutanamide (CID 528603) is 3-methyl-N-propylbutanamide.
What is the SMILES notation for 3-methyl-N-propylbutanamide?
The canonical SMILES for 3-methyl-N-propylbutanamide is CCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-propylbutanamide?
The InChIKey is XBUJEXWMTCJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-9-8(10)6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 3-methyl-N-propylbutanamide?
3-methyl-N-propylbutanamide has a molecular weight of 143.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylbutanamide is sourced from PubChem (CID 528603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).