N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide

C29H26N2O2 — CID 46046062

IUPACN-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C29H26N2O2/c1-22-9-8-14-26(19-22)30-28(32)20-23-15-17-27(18-16-23)31(21-24-10-4-2-5-11-24)29(33)25-12-6-3-7-13-25/h2-19H,20-21H2,1H3,(H,30,32)
InChIKeyNINITBYFVOAVFD-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.02
Rot. Bonds7

About N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide

N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide (PubChem CID 46046062) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
PubChem CID46046062
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C29H26N2O2/c1-22-9-8-14-26(19-22)30-28(32)20-23-15-17-27(18-16-23)31(21-24-10-4-2-5-11-24)29(33)25-12-6-3-7-13-25/h2-19H,20-21H2,1H3,(H,30,32)
InChIKeyNINITBYFVOAVFD-UHFFFAOYSA-N
XLogP6.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
N-benzyl-4-cyano-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056722
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
4-chloro-N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056893
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120
N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046309
(E)-N-benzyl-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056577
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide (CID 46046062) is N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide is Cc1cccc(NC(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is NINITBYFVOAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-22-9-8-14-26(19-22)30-28(32)20-23-15-17-27(18-16-23)31(21-24-10-4-2-5-11-24)29(33)25-12-6-3-7-13-25/h2-19H,20-21H2,1H3,(H,30,32).
What are the key properties of N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide?
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 46046062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).