N-(3-methylbutyl)propanamide

C8H17NO — CID 5152799

IUPACN-(3-methylbutyl)propanamide
SMILESCCC(=O)NCCC(C)C
InChIInChI=1S/C8H17NO/c1-4-8(10)9-6-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyDLCYNYOXBCFGEX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.56
Rot. Bonds4

About N-(3-methylbutyl)propanamide

N-(3-methylbutyl)propanamide (PubChem CID 5152799) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)propanamide
PubChem CID5152799
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3-methylbutyl)propanamide
SMILESCCC(=O)NCCC(C)C
InChIInChI=1S/C8H17NO/c1-4-8(10)9-6-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyDLCYNYOXBCFGEX-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)propanamide?
The IUPAC name of N-(3-methylbutyl)propanamide (CID 5152799) is N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)propanamide?
The canonical SMILES for N-(3-methylbutyl)propanamide is CCC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)propanamide?
The InChIKey is DLCYNYOXBCFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(10)9-6-5-7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(3-methylbutyl)propanamide?
N-(3-methylbutyl)propanamide 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 N-(3-methylbutyl)propanamide is sourced from PubChem (CID 5152799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).