3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

C24H25N3O3 — CID 60536999

IUPAC3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCOc1cccc(CNC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)c1
InChIInChI=1S/C24H25N3O3/c1-17-11-12-19(24(29)27-20-8-4-3-5-9-20)14-22(17)25-16-23(28)26-15-18-7-6-10-21(13-18)30-2/h3-14,25H,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPAGAGKNHEBBTFN-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.98
Rot. Bonds8

About 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 60536999) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID60536999
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCOc1cccc(CNC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)c1
InChIInChI=1S/C24H25N3O3/c1-17-11-12-19(24(29)27-20-8-4-3-5-9-20)14-22(17)25-16-23(28)26-15-18-7-6-10-21(13-18)30-2/h3-14,25H,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPAGAGKNHEBBTFN-UHFFFAOYSA-N
XLogP3.98
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703646
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537356
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (CID 60536999) is 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is COc1cccc(CNC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)c1.
What is the InChIKey of 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is PAGAGKNHEBBTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-11-12-19(24(29)27-20-8-4-3-5-9-20)14-22(17)25-16-23(28)26-15-18-7-6-10-21(13-18)30-2/h3-14,25H,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 403.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 60536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).