N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide

C11H22N2O2 — CID 65106366

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C11H22N2O2/c1-2-7-12-8-10(14)13-9-11(15)5-3-4-6-11/h12,15H,2-9H2,1H3,(H,13,14)
InChIKeyUPOUISXERWKZEW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.41
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide

N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide (PubChem CID 65106366) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
PubChem CID65106366
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C11H22N2O2/c1-2-7-12-8-10(14)13-9-11(15)5-3-4-6-11/h12,15H,2-9H2,1H3,(H,13,14)
InChIKeyUPOUISXERWKZEW-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide (CID 65106366) is N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide?
The InChIKey is UPOUISXERWKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-7-12-8-10(14)13-9-11(15)5-3-4-6-11/h12,15H,2-9H2,1H3,(H,13,14).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 65106366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).