3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide

C29H27N3O3 — CID 54840284

IUPAC3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C29H27N3O3/c1-21-6-5-9-23(18-21)29(34)32-26-12-10-24(11-13-26)30-19-28(33)31-25-14-16-27(17-15-25)35-20-22-7-3-2-4-8-22/h2-18,30H,19-20H2,1H3,(H,31,33)(H,32,34)
InChIKeyWTLNGNFWGUZEBF-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.88
Rot. Bonds9

About 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide

3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide (PubChem CID 54840284) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
PubChem CID54840284
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C29H27N3O3/c1-21-6-5-9-23(18-21)29(34)32-26-12-10-24(11-13-26)30-19-28(33)31-25-14-16-27(17-15-25)35-20-22-7-3-2-4-8-22/h2-18,30H,19-20H2,1H3,(H,31,33)(H,32,34)
InChIKeyWTLNGNFWGUZEBF-UHFFFAOYSA-N
XLogP5.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide (CID 54840284) is 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide?
The InChIKey is WTLNGNFWGUZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-21-6-5-9-23(18-21)29(34)32-26-12-10-24(11-13-26)30-19-28(33)31-25-14-16-27(17-15-25)35-20-22-7-3-2-4-8-22/h2-18,30H,19-20H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide?
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 5.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54840284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).