2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid

C30H27NO4 — CID 174471570

IUPAC2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid
SMILESCC(C(=O)Nc1ccccc1OCc1ccc(Cc2ccccc2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C30H27NO4/c1-21(24-9-3-2-4-10-24)29(32)31-27-13-7-8-14-28(27)35-20-23-17-15-22(16-18-23)19-25-11-5-6-12-26(25)30(33)34/h2-18,21H,19-20H2,1H3,(H,31,32)(H,33,34)
InChIKeyQLXPOQLPRAKQNX-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.30
Rot. Bonds9

About 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid

2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid (PubChem CID 174471570) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid
PubChem CID174471570
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid
SMILESCC(C(=O)Nc1ccccc1OCc1ccc(Cc2ccccc2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C30H27NO4/c1-21(24-9-3-2-4-10-24)29(32)31-27-13-7-8-14-28(27)35-20-23-17-15-22(16-18-23)19-25-11-5-6-12-26(25)30(33)34/h2-18,21H,19-20H2,1H3,(H,31,32)(H,33,34)
InChIKeyQLXPOQLPRAKQNX-UHFFFAOYSA-N
XLogP6.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[2-(4-phenylphenyl)propanoylamino]phenyl]methyl]benzoic acid
CID 10296681
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide
CID 142081798
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
2-[2-(3,5-dihydroxyphenyl)propanoylamino]benzoic acid
CID 175832726
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522887
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid?
The IUPAC name of 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid (CID 174471570) is 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid?
The canonical SMILES for 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid is CC(C(=O)Nc1ccccc1OCc1ccc(Cc2ccccc2C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid?
The InChIKey is QLXPOQLPRAKQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-21(24-9-3-2-4-10-24)29(32)31-27-13-7-8-14-28(27)35-20-23-17-15-22(16-18-23)19-25-11-5-6-12-26(25)30(33)34/h2-18,21H,19-20H2,1H3,(H,31,32)(H,33,34).
What are the key properties of 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid?
2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid has a molecular weight of 465.55 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid is sourced from PubChem (CID 174471570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).