4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide

C29H26N2O3 — CID 23531471

IUPAC4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide
SMILESCNc1ccc(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-20(32)23-7-15-27(16-8-23)34-28-17-9-24(10-18-28)29(33)31-26-13-5-22(6-14-26)19-21-3-11-25(30-2)12-4-21/h3-18,30H,19H2,1-2H3,(H,31,33)
InChIKeyKHDLNAGKYWZYJW-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.57
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide

4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide (PubChem CID 23531471) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide
PubChem CID23531471
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide
SMILESCNc1ccc(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-20(32)23-7-15-27(16-8-23)34-28-17-9-24(10-18-28)29(33)31-26-13-5-22(6-14-26)19-21-3-11-25(30-2)12-4-21/h3-18,30H,19H2,1-2H3,(H,31,33)
InChIKeyKHDLNAGKYWZYJW-UHFFFAOYSA-N
XLogP6.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
[4-(4-acetylphenoxy)phenyl]urea
CID 57193509
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide (CID 23531471) is 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide is CNc1ccc(Cc2ccc(NC(=O)c3ccc(Oc4ccc(C(C)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide?
The InChIKey is KHDLNAGKYWZYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-20(32)23-7-15-27(16-8-23)34-28-17-9-24(10-18-28)29(33)31-26-13-5-22(6-14-26)19-21-3-11-25(30-2)12-4-21/h3-18,30H,19H2,1-2H3,(H,31,33).
What are the key properties of 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide?
4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 6.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 23531471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).