N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide

C19H22N2O3 — CID 46415447

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-11-6-5-10-16(17)18(22)20-13-14-8-7-9-15(12-14)19(23)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyZYRXMNPOSIUOCB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds6

About N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide

N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide (PubChem CID 46415447) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
PubChem CID46415447
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-11-6-5-10-16(17)18(22)20-13-14-8-7-9-15(12-14)19(23)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyZYRXMNPOSIUOCB-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4739481
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060191
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
N-[(3-carbamothioylphenyl)methyl]-2-methoxybenzamide
CID 62311612
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide (CID 46415447) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide?
The InChIKey is ZYRXMNPOSIUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-17-11-6-5-10-16(17)18(22)20-13-14-8-7-9-15(12-14)19(23)21(2)3/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 46415447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).