3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide

C13H26N2O2 — CID 104593435

IUPAC3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
SMILESCC(O)CNCCNC(=O)CCC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-11(16)10-14-8-9-15-13(17)7-6-12-4-2-3-5-12/h11-12,14,16H,2-10H2,1H3,(H,15,17)
InChIKeyRNZOMAGXYVTUCW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds8

About 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide

3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide (PubChem CID 104593435) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
PubChem CID104593435
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
SMILESCC(O)CNCCNC(=O)CCC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-11(16)10-14-8-9-15-13(17)7-6-12-4-2-3-5-12/h11-12,14,16H,2-10H2,1H3,(H,15,17)
InChIKeyRNZOMAGXYVTUCW-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
3-cyclopentyl-N-[2-(3-hydroxybutylamino)-2-oxoethyl]propanamide
CID 111433458
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
N-(2-hydroxypropyl)-3-(oxan-4-yl)propanamide
CID 84578706
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide (CID 104593435) is 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide is CC(O)CNCCNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
The InChIKey is RNZOMAGXYVTUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(16)10-14-8-9-15-13(17)7-6-12-4-2-3-5-12/h11-12,14,16H,2-10H2,1H3,(H,15,17).
What are the key properties of 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide is sourced from PubChem (CID 104593435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).