N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide

C24H24N2O3 — CID 4944520

IUPACN-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
SMILESCC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(C)OC3=CC=CC=C3)C
InChIInChI=1S/C24H24N2O3/c1-16-13-14-19(15-17(16)2)25-24(28)21-11-7-8-12-22(21)26-23(27)18(3)29-20-9-5-4-6-10-20/h4-15,18H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBPLPINQNMXUIDT-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.30
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide

N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide (PubChem CID 4944520) has the molecular formula C24H24N2O3 and a molecular weight of 388.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
PubChem CID4944520
Molecular FormulaC24H24N2O3
Molecular Weight388.50 g/mol
Exact Mass388.18
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
SMILESCC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(C)OC3=CC=CC=C3)C
InChIInChI=1S/C24H24N2O3/c1-16-13-14-19(15-17(16)2)25-24(28)21-11-7-8-12-22(21)26-23(27)18(3)29-20-9-5-4-6-10-20/h4-15,18H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBPLPINQNMXUIDT-UHFFFAOYSA-N
XLogP5.30
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity546

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
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CID 710558
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
3-ethoxy-N-2-naphthylbenzamide
CID 875949
N-(2-ethoxyphenyl)-2-phenylbenzamide
CID 976149
N-(2-methyl-4-{[(4-methylphenoxy)acetyl]amino}phenyl)benzamide
CID 1221794
3-benzamido-N-(4-ethoxyphenyl)benzamide
CID 1308956
2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 2543985
2-anilino-N-(2-methoxyphenyl)benzamide
CID 4568699
N-cyclopropyl-2-[(2-phenoxyacetyl)amino]benzamide
CID 8700142
N-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 8700187

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide (CID 4944520) is N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide is CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(C)OC3=CC=CC=C3)C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide?
The InChIKey is BPLPINQNMXUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-13-14-19(15-17(16)2)25-24(28)21-11-7-8-12-22(21)26-23(27)18(3)29-20-9-5-4-6-10-20/h4-15,18H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide?
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide has a molecular weight of 388.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 4944520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).