2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide

C12H24N2O4 — CID 106246683

IUPAC2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
SMILESCOCC(O)CCNCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N2O4/c1-17-9-11(15)2-5-13-8-12(16)14-10-3-6-18-7-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyALQRROYRZYENAN-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.73
Rot. Bonds8

About 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide

2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 106246683) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID106246683
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
SMILESCOCC(O)CCNCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N2O4/c1-17-9-11(15)2-5-13-8-12(16)14-10-3-6-18-7-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyALQRROYRZYENAN-UHFFFAOYSA-N
XLogP-0.73
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.73
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

N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)amino]acetamide
CID 63929849
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-cyclopropyl-2-(3-hydroxybutylamino)acetamide
CID 64912481
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
CID 106255019
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
CID 63100245
N-(3-hydroxy-4-methoxybutyl)morpholine-4-carboxamide
CID 103876112

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide (CID 106246683) is 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide is COCC(O)CCNCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is ALQRROYRZYENAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-17-9-11(15)2-5-13-8-12(16)14-10-3-6-18-7-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide?
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 260.33 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 106246683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).