2-ethyl-N-propylbutanamide

C9H19NO — CID 4198792

IUPAC2-ethyl-N-propylbutanamide
SMILESCCCNC(=O)C(CC)CC
InChIInChI=1S/C9H19NO/c1-4-7-10-9(11)8(5-2)6-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyPTCSAMBHFKGNCD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds5

About 2-ethyl-N-propylbutanamide

2-ethyl-N-propylbutanamide (PubChem CID 4198792) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethyl-N-propylbutanamide.

Molecular Properties

Compound Name2-ethyl-N-propylbutanamide
PubChem CID4198792
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethyl-N-propylbutanamide
SMILESCCCNC(=O)C(CC)CC
InChIInChI=1S/C9H19NO/c1-4-7-10-9(11)8(5-2)6-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyPTCSAMBHFKGNCD-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propylbutanamide?
The IUPAC name of 2-ethyl-N-propylbutanamide (CID 4198792) is 2-ethyl-N-propylbutanamide.
What is the SMILES notation for 2-ethyl-N-propylbutanamide?
The canonical SMILES for 2-ethyl-N-propylbutanamide is CCCNC(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-N-propylbutanamide?
The InChIKey is PTCSAMBHFKGNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7-10-9(11)8(5-2)6-3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-N-propylbutanamide?
2-ethyl-N-propylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propylbutanamide is sourced from PubChem (CID 4198792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).