N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide

C21H24N2O4 — CID 3875158

IUPACN-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
SMILESO=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C21H24N2O4/c24-20(22-14-19-12-7-13-27-19)15-26-16-21(25)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,24)
InChIKeyAQOJGZOVXOAQSR-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.66
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide

N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide (PubChem CID 3875158) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
PubChem CID3875158
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
SMILESO=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C21H24N2O4/c24-20(22-14-19-12-7-13-27-19)15-26-16-21(25)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,24)
InChIKeyAQOJGZOVXOAQSR-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
CID 7324082
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 51362040
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-benzoylbenzoate
CID 2621831
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide (CID 3875158) is N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide is O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide?
The InChIKey is AQOJGZOVXOAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(22-14-19-12-7-13-27-19)15-26-16-21(25)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide?
N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide is sourced from PubChem (CID 3875158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).