4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C19H23N3O3 — CID 54840781

IUPAC4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-13(2)21-19(24)14-7-9-15(10-8-14)20-12-18(23)22-16-5-4-6-17(11-16)25-3/h4-11,13,20H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySSRILXDJAVVWJH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.88
Rot. Bonds7

About 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840781) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840781
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-13(2)21-19(24)14-7-9-15(10-8-14)20-12-18(23)22-16-5-4-6-17(11-16)25-3/h4-11,13,20H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySSRILXDJAVVWJH-UHFFFAOYSA-N
XLogP2.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54840781) is 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is COc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2)c1.
What is the InChIKey of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is SSRILXDJAVVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)21-19(24)14-7-9-15(10-8-14)20-12-18(23)22-16-5-4-6-17(11-16)25-3/h4-11,13,20H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).