2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide

C11H25N3O4 — CID 122551407

IUPAC2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(N)C(=O)NCCOCCOCCNCO
InChIInChI=1S/C11H25N3O4/c1-2-10(12)11(16)14-4-6-18-8-7-17-5-3-13-9-15/h10,13,15H,2-9,12H2,1H3,(H,14,16)
InChIKeyDBJUOIXYIZCNDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP-1.59
Rot. Bonds12

About 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide

2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide (PubChem CID 122551407) has the molecular formula C11H25N3O4 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
PubChem CID122551407
Molecular FormulaC11H25N3O4
Molecular Weight263.34 g/mol
Exact Mass263.18
IUPAC Name2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(N)C(=O)NCCOCCOCCNCO
InChIInChI=1S/C11H25N3O4/c1-2-10(12)11(16)14-4-6-18-8-7-17-5-3-13-9-15/h10,13,15H,2-9,12H2,1H3,(H,14,16)
InChIKeyDBJUOIXYIZCNDY-UHFFFAOYSA-N
XLogP-1.59
TPSA105.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
CID 135228994
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide (CID 122551407) is 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide is CCC(N)C(=O)NCCOCCOCCNCO.
What is the InChIKey of 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is DBJUOIXYIZCNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4/c1-2-10(12)11(16)14-4-6-18-8-7-17-5-3-13-9-15/h10,13,15H,2-9,12H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide?
2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 263.34 g/mol, XLogP of -1.59, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 122551407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).