2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide

C9H20N2O4 — CID 62476612

IUPAC2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCOCCO
InChIInChI=1S/C9H20N2O4/c1-14-5-2-8(10)9(13)11-3-6-15-7-4-12/h8,12H,2-7,10H2,1H3,(H,11,13)
InChIKeyLSKWOSVUTHHESY-UHFFFAOYSA-N
MW220.27 g/mol
LogP-1.52
Rot. Bonds9

About 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide (PubChem CID 62476612) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
PubChem CID62476612
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCOCCO
InChIInChI=1S/C9H20N2O4/c1-14-5-2-8(10)9(13)11-3-6-15-7-4-12/h8,12H,2-7,10H2,1H3,(H,11,13)
InChIKeyLSKWOSVUTHHESY-UHFFFAOYSA-N
XLogP-1.52
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
CID 89199743
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64888561
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
CID 135228994
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide (CID 62476612) is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NCCOCCO.
What is the InChIKey of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide?
The InChIKey is LSKWOSVUTHHESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-14-5-2-8(10)9(13)11-3-6-15-7-4-12/h8,12H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide?
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide has a molecular weight of 220.27 g/mol, XLogP of -1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 62476612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).