(2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide

C16H32N2O2 — CID 142673930

IUPAC(2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide
SMILESCC=CC(C(C)C)N(OCC)[C@H](C(=O)NC)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-9-11-13(12(3)4)18(20-10-2)14(15(19)17-8)16(5,6)7/h9,11-14H,10H2,1-8H3,(H,17,19)/t13?,14-/m1/s1
InChIKeyYEAZRWOYOXBWPC-ARLHGKGLSA-N
MW284.44 g/mol
LogP3.00
Rot. Bonds7

About (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide

(2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide (PubChem CID 142673930) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide
PubChem CID142673930
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide
SMILESCC=CC(C(C)C)N(OCC)[C@H](C(=O)NC)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-9-11-13(12(3)4)18(20-10-2)14(15(19)17-8)16(5,6)7/h9,11-14H,10H2,1-8H3,(H,17,19)/t13?,14-/m1/s1
InChIKeyYEAZRWOYOXBWPC-ARLHGKGLSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide 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-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide (CID 142673930) is (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide is CC=CC(C(C)C)N(OCC)[C@H](C(=O)NC)C(C)(C)C.
What is the InChIKey of (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide?
The InChIKey is YEAZRWOYOXBWPC-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-9-11-13(12(3)4)18(20-10-2)14(15(19)17-8)16(5,6)7/h9,11-14H,10H2,1-8H3,(H,17,19)/t13?,14-/m1/s1.
What are the key properties of (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide?
(2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethoxy(2-methylhex-4-en-3-yl)amino]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 142673930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).