(2S)-2-ethylpentanediamide

C7H14N2O2 — CID 146526357

IUPAC(2S)-2-ethylpentanediamide
SMILESCCC(CCC(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-5(7(9)11)3-4-6(8)10/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11)
InChIKeyVCYKOLJSCVNARE-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds5

About (2S)-2-ethylpentanediamide

(2S)-2-ethylpentanediamide (PubChem CID 146526357) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-ethylpentanediamide.

Molecular Properties

Compound Name(2S)-2-ethylpentanediamide
PubChem CID146526357
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-ethylpentanediamide
SMILESCCC(CCC(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-5(7(9)11)3-4-6(8)10/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11)
InChIKeyVCYKOLJSCVNARE-UHFFFAOYSA-N
XLogP-0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-ethylpentanamide;hydrochloride
CID 121334657
ethane;2-ethylpentanamide
CID 178117178
2-(2-hydroxyethyl)pentanediamide
CID 23104502
2-(2-hydroxypropyl)pentanediamide
CID 23104492
2-ethyl-5-hydroxypentanamide
CID 21402948
lithium;2-ethylhexanamide;hydride
CID 173043498
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
azane;2-ethyldodecanamide
CID 174462460
octadecyl 4-carbamoylhexanoate
CID 18715940
2-methylpentanediamide
CID 19688970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylpentanediamide?
The IUPAC name of (2S)-2-ethylpentanediamide (CID 146526357) is (2S)-2-ethylpentanediamide.
What is the SMILES notation for (2S)-2-ethylpentanediamide?
The canonical SMILES for (2S)-2-ethylpentanediamide is CCC(CCC(N)=O)C(N)=O.
What is the InChIKey of (2S)-2-ethylpentanediamide?
The InChIKey is VCYKOLJSCVNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-5(7(9)11)3-4-6(8)10/h5H,2-4H2,1H3,(H2,8,10)(H2,9,11).
What are the key properties of (2S)-2-ethylpentanediamide?
(2S)-2-ethylpentanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylpentanediamide is sourced from PubChem (CID 146526357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).