2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

C21H26N2O3 — CID 54808947

IUPAC2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(OCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-2-23(18-9-4-3-5-10-18)15-21(24)22-17-8-6-11-19(14-17)26-16-20-12-7-13-25-20/h3-6,8-11,14,20H,2,7,12-13,15-16H2,1H3,(H,22,24)
InChIKeyRNUSACYRVKIIGC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.71
Rot. Bonds8

About 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54808947) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54808947
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(OCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-2-23(18-9-4-3-5-10-18)15-21(24)22-17-8-6-11-19(14-17)26-16-20-12-7-13-25-20/h3-6,8-11,14,20H,2,7,12-13,15-16H2,1H3,(H,22,24)
InChIKeyRNUSACYRVKIIGC-UHFFFAOYSA-N
XLogP3.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54808947) is 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is CCN(CC(=O)Nc1cccc(OCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is RNUSACYRVKIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-23(18-9-4-3-5-10-18)15-21(24)22-17-8-6-11-19(14-17)26-16-20-12-7-13-25-20/h3-6,8-11,14,20H,2,7,12-13,15-16H2,1H3,(H,22,24).
What are the key properties of 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54808947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).