4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide

C10H22N2O4 — CID 106247351

IUPAC4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
SMILESCOCC(O)CCNC(=O)CC(CN)OC
InChIInChI=1S/C10H22N2O4/c1-15-7-8(13)3-4-12-10(14)5-9(6-11)16-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyYHRLXPYAEOHHRV-UHFFFAOYSA-N
MW234.30 g/mol
LogP-1.14
Rot. Bonds9

About 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide

4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide (PubChem CID 106247351) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
PubChem CID106247351
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
SMILESCOCC(O)CCNC(=O)CC(CN)OC
InChIInChI=1S/C10H22N2O4/c1-15-7-8(13)3-4-12-10(14)5-9(6-11)16-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyYHRLXPYAEOHHRV-UHFFFAOYSA-N
XLogP-1.14
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
CID 106248555
4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
CID 103156713
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide (CID 106247351) is 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide is COCC(O)CCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide?
The InChIKey is YHRLXPYAEOHHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-15-7-8(13)3-4-12-10(14)5-9(6-11)16-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide?
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide has a molecular weight of 234.30 g/mol, XLogP of -1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide is sourced from PubChem (CID 106247351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).