N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide

C25H27N3O3 — CID 30538923

IUPACN-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cccc(C(C)C)c3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-17(2)19-5-4-6-22(15-19)27-24(29)16-26-20-9-7-18(8-10-20)25(30)28-21-11-13-23(31-3)14-12-21/h4-15,17,26H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyGNFMMJHDEIDOSJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.12
Rot. Bonds8

About N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide (PubChem CID 30538923) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
PubChem CID30538923
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cccc(C(C)C)c3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-17(2)19-5-4-6-22(15-19)27-24(29)16-26-20-9-7-18(8-10-20)25(30)28-21-11-13-23(31-3)14-12-21/h4-15,17,26H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyGNFMMJHDEIDOSJ-UHFFFAOYSA-N
XLogP5.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide (CID 30538923) is N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cccc(C(C)C)c3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide?
The InChIKey is GNFMMJHDEIDOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(2)19-5-4-6-22(15-19)27-24(29)16-26-20-9-7-18(8-10-20)25(30)28-21-11-13-23(31-3)14-12-21/h4-15,17,26H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide is sourced from PubChem (CID 30538923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).