N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C18H24N2O4 — CID 131903978

IUPACN-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1ccc(OCC2CCCCO2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(12-20-10-3-5-18(20)22)19-14-6-8-15(9-7-14)24-13-16-4-1-2-11-23-16/h6-9,16H,1-5,10-13H2,(H,19,21)
InChIKeySQJSGXIYNRKHNI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.20
Rot. Bonds6

About N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 131903978) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID131903978
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1ccc(OCC2CCCCO2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(12-20-10-3-5-18(20)22)19-14-6-8-15(9-7-14)24-13-16-4-1-2-11-23-16/h6-9,16H,1-5,10-13H2,(H,19,21)
InChIKeySQJSGXIYNRKHNI-UHFFFAOYSA-N
XLogP2.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 118783157
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
N-[4-(oxan-2-ylmethoxy)phenyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131898114
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 131903978) is N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)Nc1ccc(OCC2CCCCO2)cc1.
What is the InChIKey of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is SQJSGXIYNRKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(12-20-10-3-5-18(20)22)19-14-6-8-15(9-7-14)24-13-16-4-1-2-11-23-16/h6-9,16H,1-5,10-13H2,(H,19,21).
What are the key properties of N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-2-ylmethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 131903978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).