2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide

C12H24N2O4 — CID 106237886

IUPAC2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCC(O)COC1CCCC1
InChIInChI=1S/C12H24N2O4/c13-12(16)9-17-6-5-14-7-10(15)8-18-11-3-1-2-4-11/h10-11,14-15H,1-9H2,(H2,13,16)
InChIKeyKUAKLTADKIKRSS-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.60
Rot. Bonds10

About 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide

2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide (PubChem CID 106237886) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
PubChem CID106237886
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCC(O)COC1CCCC1
InChIInChI=1S/C12H24N2O4/c13-12(16)9-17-6-5-14-7-10(15)8-18-11-3-1-2-4-11/h10-11,14-15H,1-9H2,(H2,13,16)
InChIKeyKUAKLTADKIKRSS-UHFFFAOYSA-N
XLogP-0.60
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.60
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

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide (CID 106237886) is 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide is NC(=O)COCCNCC(O)COC1CCCC1.
What is the InChIKey of 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide?
The InChIKey is KUAKLTADKIKRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c13-12(16)9-17-6-5-14-7-10(15)8-18-11-3-1-2-4-11/h10-11,14-15H,1-9H2,(H2,13,16).
What are the key properties of 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide?
2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide has a molecular weight of 260.33 g/mol, XLogP of -0.60, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106237886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).