(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide

C16H32N2O2 — CID 143023877

IUPAC(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide
SMILESCCOC/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C16H32N2O2/c1-8-20-10-13(6)9-14(11(2)3)18(7)16(19)15(17)12(4)5/h9,11-12,14-15H,8,10,17H2,1-7H3/b13-9+/t14-,15+/m1/s1
InChIKeyHQNADPQNCTYEMJ-UXHADMKASA-N
MW284.44 g/mol
LogP2.44
Rot. Bonds8

About (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide

(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide (PubChem CID 143023877) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide
PubChem CID143023877
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide
SMILESCCOC/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C16H32N2O2/c1-8-20-10-13(6)9-14(11(2)3)18(7)16(19)15(17)12(4)5/h9,11-12,14-15H,8,10,17H2,1-7H3/b13-9+/t14-,15+/m1/s1
InChIKeyHQNADPQNCTYEMJ-UXHADMKASA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2E,4S)-2,5-dimethyl-4-[methyl(3-methyl-L-valyl)amino]hex-2-enoate
CID 11120545
ethyl (E)-4-[[2-[[2-ethyl-2-(methylamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 21031935
ethyl (E)-4-[[2-[[2-ethyl-2-(propan-2-ylamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 21031936
ethyl (E)-4-[[2-[[2-ethyl-2-(propylamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 21031968
ethyl (E)-4-[(2-amino-3,3-dimethylbutanoyl)-methylamino]-2,5-dimethylhex-2-enoate
CID 21031981
ethyl (E)-4-[(2-amino-3-methylbutanoyl)-methylamino]-2,5-dimethylhex-2-enoate
CID 21032057
ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[2-methyl-2-(methylamino)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 57838325
ethyl (E,4S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 58649872
ethyl (E,4S)-4-[[(2S)-2-[[2-ethyl-2-(propan-2-ylamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 58650021
ethyl (E,4S)-4-[[(2S)-2-[[2-ethyl-2-(methylamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 58650169
ethyl (E,4S)-4-[[(2S)-2-[[2-(butan-2-ylamino)-2-ethylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 58650254
ethyl (E,4S)-4-[[(2S)-2-acetamido-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 58650392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide (CID 143023877) is (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide is CCOC/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide?
The InChIKey is HQNADPQNCTYEMJ-UXHADMKASA-N. The full InChI is InChI=1S/C16H32N2O2/c1-8-20-10-13(6)9-14(11(2)3)18(7)16(19)15(17)12(4)5/h9,11-12,14-15H,8,10,17H2,1-7H3/b13-9+/t14-,15+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(E,3S)-6-ethoxy-2,5-dimethylhex-4-en-3-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 143023877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).