4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide

C20H25N3O3 — CID 46683346

IUPAC4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
SMILESCCOc1ccc(CN(C)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-18-10-4-15(5-11-18)14-23(2)13-12-19(24)22-17-8-6-16(7-9-17)20(21)25/h4-11H,3,12-14H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyIXJJQKSJDGPPLE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.64
Rot. Bonds9

About 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide

4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide (PubChem CID 46683346) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
PubChem CID46683346
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
SMILESCCOc1ccc(CN(C)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-18-10-4-15(5-11-18)14-23(2)13-12-19(24)22-17-8-6-16(7-9-17)20(21)25/h4-11H,3,12-14H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyIXJJQKSJDGPPLE-UHFFFAOYSA-N
XLogP2.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
CID 113117576
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide (CID 46683346) is 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide is CCOc1ccc(CN(C)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
The InChIKey is IXJJQKSJDGPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-26-18-10-4-15(5-11-18)14-23(2)13-12-19(24)22-17-8-6-16(7-9-17)20(21)25/h4-11H,3,12-14H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide?
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 46683346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).