N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide

C19H21NO3 — CID 18168438

IUPACN-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)NCC1CCCO1
InChIInChI=1S/C19H21NO3/c21-19(20-13-16-9-6-12-22-16)14-23-18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,20,21)
InChIKeyDKJNABKKAHLYKY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.03
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide

N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 18168438) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
PubChem CID18168438
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)NCC1CCCO1
InChIInChI=1S/C19H21NO3/c21-19(20-13-16-9-6-12-22-16)14-23-18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,20,21)
InChIKeyDKJNABKKAHLYKY-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 168554617
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-[2-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 163308884
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylamino]methyl]benzoic acid
CID 122030533
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(2-phenoxyethoxy)benzoate
CID 8921899
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide (CID 18168438) is N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is DKJNABKKAHLYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(20-13-16-9-6-12-22-16)14-23-18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide?
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 18168438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).