(2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide

C14H28N2O2 — CID 118427520

IUPAC(2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide
SMILESCCN(CC1CCCCO1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-4-16(10-12-7-5-6-8-18-12)14(17)13(15)9-11(2)3/h11-13H,4-10,15H2,1-3H3/t12?,13-/m0/s1
InChIKeyZLQMMBVFNSVCMB-ABLWVSNPSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide

(2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide (PubChem CID 118427520) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide
PubChem CID118427520
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide
SMILESCCN(CC1CCCCO1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-4-16(10-12-7-5-6-8-18-12)14(17)13(15)9-11(2)3/h11-13H,4-10,15H2,1-3H3/t12?,13-/m0/s1
InChIKeyZLQMMBVFNSVCMB-ABLWVSNPSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide (CID 118427520) is (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide is CCN(CC1CCCCO1)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide?
The InChIKey is ZLQMMBVFNSVCMB-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-16(10-12-7-5-6-8-18-12)14(17)13(15)9-11(2)3/h11-13H,4-10,15H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide?
(2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide has a molecular weight of 256.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-4-methyl-N-(oxan-2-ylmethyl)pentanamide is sourced from PubChem (CID 118427520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).