2-[acetyl(propyl)amino]butanamide

C9H18N2O2 — CID 11275461

IUPAC2-[acetyl(propyl)amino]butanamide
SMILESCCCN(C(C)=O)C(CC)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-4-6-11(7(3)12)8(5-2)9(10)13/h8H,4-6H2,1-3H3,(H2,10,13)
InChIKeyXTNTUPCDDLPMOV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds5

About 2-[acetyl(propyl)amino]butanamide

2-[acetyl(propyl)amino]butanamide (PubChem CID 11275461) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]butanamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]butanamide
PubChem CID11275461
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[acetyl(propyl)amino]butanamide
SMILESCCCN(C(C)=O)C(CC)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-4-6-11(7(3)12)8(5-2)9(10)13/h8H,4-6H2,1-3H3,(H2,10,13)
InChIKeyXTNTUPCDDLPMOV-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]butanamide?
The IUPAC name of 2-[acetyl(propyl)amino]butanamide (CID 11275461) is 2-[acetyl(propyl)amino]butanamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]butanamide?
The canonical SMILES for 2-[acetyl(propyl)amino]butanamide is CCCN(C(C)=O)C(CC)C(N)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]butanamide?
The InChIKey is XTNTUPCDDLPMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-6-11(7(3)12)8(5-2)9(10)13/h8H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of 2-[acetyl(propyl)amino]butanamide?
2-[acetyl(propyl)amino]butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]butanamide is sourced from PubChem (CID 11275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).