N-(2-aminoethyl)-N-(2-oxopropyl)butanamide

C9H18N2O2 — CID 23592986

IUPACN-(2-aminoethyl)-N-(2-oxopropyl)butanamide
SMILESCCCC(=O)N(CCN)CC(C)=O
InChIInChI=1S/C9H18N2O2/c1-3-4-9(13)11(6-5-10)7-8(2)12/h3-7,10H2,1-2H3
InChIKeyZKAXWCDMPZNPNR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.16
Rot. Bonds6

About N-(2-aminoethyl)-N-(2-oxopropyl)butanamide

N-(2-aminoethyl)-N-(2-oxopropyl)butanamide (PubChem CID 23592986) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-oxopropyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-oxopropyl)butanamide
PubChem CID23592986
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-aminoethyl)-N-(2-oxopropyl)butanamide
SMILESCCCC(=O)N(CCN)CC(C)=O
InChIInChI=1S/C9H18N2O2/c1-3-4-9(13)11(6-5-10)7-8(2)12/h3-7,10H2,1-2H3
InChIKeyZKAXWCDMPZNPNR-UHFFFAOYSA-N
XLogP0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-oxopropyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-oxopropyl)butanamide (CID 23592986) is N-(2-aminoethyl)-N-(2-oxopropyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-oxopropyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-oxopropyl)butanamide is CCCC(=O)N(CCN)CC(C)=O.
What is the InChIKey of N-(2-aminoethyl)-N-(2-oxopropyl)butanamide?
The InChIKey is ZKAXWCDMPZNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-9(13)11(6-5-10)7-8(2)12/h3-7,10H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2-oxopropyl)butanamide?
N-(2-aminoethyl)-N-(2-oxopropyl)butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-oxopropyl)butanamide is sourced from PubChem (CID 23592986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).