3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

C20H22N2O4 — CID 46802911

IUPAC3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C20H22N2O4/c1-14(23)21-16-6-2-5-15(11-16)20(24)22-17-7-3-8-18(12-17)26-13-19-9-4-10-25-19/h2-3,5-8,11-12,19H,4,9-10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyVBIXDQLXKCVKKE-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.46
Rot. Bonds6

About 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 46802911) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID46802911
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C20H22N2O4/c1-14(23)21-16-6-2-5-15(11-16)20(24)22-17-7-3-8-18(12-17)26-13-19-9-4-10-25-19/h2-3,5-8,11-12,19H,4,9-10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyVBIXDQLXKCVKKE-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
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N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 46802911) is 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is VBIXDQLXKCVKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)21-16-6-2-5-15(11-16)20(24)22-17-7-3-8-18(12-17)26-13-19-9-4-10-25-19/h2-3,5-8,11-12,19H,4,9-10,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 46802911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).