(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide

C12H26N2O2 — CID 103831646

IUPAC(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CC)CCOCC
InChIInChI=1S/C12H26N2O2/c1-4-7-8-11(13)12(15)14(5-2)9-10-16-6-3/h11H,4-10,13H2,1-3H3/t11-/m0/s1
InChIKeySPDHFUJGGRTFJV-NSHDSACASA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds9

About (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide

(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide (PubChem CID 103831646) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
PubChem CID103831646
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CC)CCOCC
InChIInChI=1S/C12H26N2O2/c1-4-7-8-11(13)12(15)14(5-2)9-10-16-6-3/h11H,4-10,13H2,1-3H3/t11-/m0/s1
InChIKeySPDHFUJGGRTFJV-NSHDSACASA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
CID 107569737
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
CID 63690929
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
2-amino-N-butyl-N-ethyl-3-methoxypropanamide
CID 81081138
2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide (CID 103831646) is (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide is CCCC[C@H](N)C(=O)N(CC)CCOCC.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide?
The InChIKey is SPDHFUJGGRTFJV-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-7-8-11(13)12(15)14(5-2)9-10-16-6-3/h11H,4-10,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide?
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide is sourced from PubChem (CID 103831646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).