2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide

C11H24N2O4S — CID 63690929

IUPAC2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
SMILESCCOCCN(CC)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-13(7-8-17-5-2)11(14)10(12)6-9-18(3,15)16/h10H,4-9,12H2,1-3H3
InChIKeyBEONVLOSJVDQAJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.37
Rot. Bonds9

About 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide

2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide (PubChem CID 63690929) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
PubChem CID63690929
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
SMILESCCOCCN(CC)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-13(7-8-17-5-2)11(14)10(12)6-9-18(3,15)16/h10H,4-9,12H2,1-3H3
InChIKeyBEONVLOSJVDQAJ-UHFFFAOYSA-N
XLogP-0.37
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
CID 107569737
2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 103831646
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
(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,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide (CID 63690929) is 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide is CCOCCN(CC)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide?
The InChIKey is BEONVLOSJVDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-13(7-8-17-5-2)11(14)10(12)6-9-18(3,15)16/h10H,4-9,12H2,1-3H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide?
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide has a molecular weight of 280.39 g/mol, XLogP of -0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 63690929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).