N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide

C14H18N2O3 — CID 62916480

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=O)CN1CCC(O)C1
InChIInChI=1S/C14H18N2O3/c17-12-6-7-16(9-12)10-14(19)15-13(18)8-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2,(H,15,18,19)
InChIKeyHGKGXSDETXDCFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.06
Rot. Bonds4

About N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide

N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide (PubChem CID 62916480) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
PubChem CID62916480
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=O)CN1CCC(O)C1
InChIInChI=1S/C14H18N2O3/c17-12-6-7-16(9-12)10-14(19)15-13(18)8-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2,(H,15,18,19)
InChIKeyHGKGXSDETXDCFC-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide (CID 62916480) is N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=O)CN1CCC(O)C1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide?
The InChIKey is HGKGXSDETXDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-12-6-7-16(9-12)10-14(19)15-13(18)8-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2,(H,15,18,19).
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide?
N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide has a molecular weight of 262.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide is sourced from PubChem (CID 62916480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).