(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide

C12H26N2O2 — CID 63690931

IUPAC(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
SMILESCCOCCN(CC)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C12H26N2O2/c1-5-10(4)11(13)12(15)14(6-2)8-9-16-7-3/h10-11H,5-9,13H2,1-4H3/t10-,11-/m0/s1
InChIKeyLRIGDGXGCAMGEN-QWRGUYRKSA-N
MW230.35 g/mol
LogP1.24
Rot. Bonds8

About (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide

(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide (PubChem CID 63690931) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
PubChem CID63690931
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
SMILESCCOCCN(CC)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C12H26N2O2/c1-5-10(4)11(13)12(15)14(6-2)8-9-16-7-3/h10-11H,5-9,13H2,1-4H3/t10-,11-/m0/s1
InChIKeyLRIGDGXGCAMGEN-QWRGUYRKSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.24
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

(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
CID 107569737
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
CID 102993086
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 103831646
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide (CID 63690931) is (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide is CCOCCN(CC)C(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide?
The InChIKey is LRIGDGXGCAMGEN-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(4)11(13)12(15)14(6-2)8-9-16-7-3/h10-11H,5-9,13H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide?
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide is sourced from PubChem (CID 63690931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).