N-ethyl-2-(ethylamino)-3-hydroxybutanamide

C8H18N2O2 — CID 170848809

IUPACN-ethyl-2-(ethylamino)-3-hydroxybutanamide
SMILESCCNC(=O)C(NCC)C(C)O
InChIInChI=1S/C8H18N2O2/c1-4-9-7(6(3)11)8(12)10-5-2/h6-7,9,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyWCSBDGJKMDRMLE-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.52
Rot. Bonds5

About N-ethyl-2-(ethylamino)-3-hydroxybutanamide

N-ethyl-2-(ethylamino)-3-hydroxybutanamide (PubChem CID 170848809) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-3-hydroxybutanamide
PubChem CID170848809
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-ethyl-2-(ethylamino)-3-hydroxybutanamide
SMILESCCNC(=O)C(NCC)C(C)O
InChIInChI=1S/C8H18N2O2/c1-4-9-7(6(3)11)8(12)10-5-2/h6-7,9,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyWCSBDGJKMDRMLE-UHFFFAOYSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)-3-hydroxybutanamide?
The IUPAC name of N-ethyl-2-(ethylamino)-3-hydroxybutanamide (CID 170848809) is N-ethyl-2-(ethylamino)-3-hydroxybutanamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-3-hydroxybutanamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-3-hydroxybutanamide is CCNC(=O)C(NCC)C(C)O.
What is the InChIKey of N-ethyl-2-(ethylamino)-3-hydroxybutanamide?
The InChIKey is WCSBDGJKMDRMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-9-7(6(3)11)8(12)10-5-2/h6-7,9,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-ethyl-2-(ethylamino)-3-hydroxybutanamide?
N-ethyl-2-(ethylamino)-3-hydroxybutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-3-hydroxybutanamide is sourced from PubChem (CID 170848809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).