3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide

C19H22N2O4 — CID 34752310

IUPAC3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC)cc1OCC
InChIInChI=1S/C19H22N2O4/c1-4-24-16-11-10-13(12-17(16)25-5-2)18(22)21-15-9-7-6-8-14(15)19(23)20-3/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyFXPFMBPZRYXQQQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.10
Rot. Bonds7

About 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide

3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide (PubChem CID 34752310) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
PubChem CID34752310
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC)cc1OCC
InChIInChI=1S/C19H22N2O4/c1-4-24-16-11-10-13(12-17(16)25-5-2)18(22)21-15-9-7-6-8-14(15)19(23)20-3/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyFXPFMBPZRYXQQQ-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide (CID 34752310) is 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is FXPFMBPZRYXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-24-16-11-10-13(12-17(16)25-5-2)18(22)21-15-9-7-6-8-14(15)19(23)20-3/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 34752310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).