N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide

C19H20N2O4 — CID 18103402

IUPACN-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O4/c20-18(22)13-5-3-6-14(11-13)21-19(23)16-8-1-2-9-17(16)25-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,20,22)(H,21,23)
InChIKeyIXKHEIOMUBPLQN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds6

About N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide

N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 18103402) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID18103402
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O4/c20-18(22)13-5-3-6-14(11-13)21-19(23)16-8-1-2-9-17(16)25-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,20,22)(H,21,23)
InChIKeyIXKHEIOMUBPLQN-UHFFFAOYSA-N
XLogP2.60
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42959580
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
CID 17202343
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46445892
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide (CID 18103402) is N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide is NC(=O)c1cccc(NC(=O)c2ccccc2OCC2CCCO2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is IXKHEIOMUBPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-18(22)13-5-3-6-14(11-13)21-19(23)16-8-1-2-9-17(16)25-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H2,20,22)(H,21,23).
What are the key properties of N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide?
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 18103402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).