N-acetyl-N-butylpropanamide

C9H17NO2 — CID 15271588

IUPACN-acetyl-N-butylpropanamide
SMILESCCCCN(C(C)=O)C(=O)CC
InChIInChI=1S/C9H17NO2/c1-4-6-7-10(8(3)11)9(12)5-2/h4-7H2,1-3H3
InChIKeyDXNPTEQRMXDHCX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.57
Rot. Bonds4

About N-acetyl-N-butylpropanamide

N-acetyl-N-butylpropanamide (PubChem CID 15271588) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-acetyl-N-butylpropanamide.

Molecular Properties

Compound NameN-acetyl-N-butylpropanamide
PubChem CID15271588
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-acetyl-N-butylpropanamide
SMILESCCCCN(C(C)=O)C(=O)CC
InChIInChI=1S/C9H17NO2/c1-4-6-7-10(8(3)11)9(12)5-2/h4-7H2,1-3H3
InChIKeyDXNPTEQRMXDHCX-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-butylpropanamide?
The IUPAC name of N-acetyl-N-butylpropanamide (CID 15271588) is N-acetyl-N-butylpropanamide.
What is the SMILES notation for N-acetyl-N-butylpropanamide?
The canonical SMILES for N-acetyl-N-butylpropanamide is CCCCN(C(C)=O)C(=O)CC.
What is the InChIKey of N-acetyl-N-butylpropanamide?
The InChIKey is DXNPTEQRMXDHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-10(8(3)11)9(12)5-2/h4-7H2,1-3H3.
What are the key properties of N-acetyl-N-butylpropanamide?
N-acetyl-N-butylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-butylpropanamide is sourced from PubChem (CID 15271588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).