3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid

C26H21NO3 — CID 146620003

IUPAC3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C26H21NO3/c28-25(15-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)27-24-17-22-9-5-4-8-21(22)16-23(24)26(29)30/h1-11,13-14,16-17H,12,15H2,(H,27,28)(H,29,30)
InChIKeyMFIDQOYUQUTLOS-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.78
Rot. Bonds6

About 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid

3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid (PubChem CID 146620003) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
PubChem CID146620003
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C26H21NO3/c28-25(15-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)27-24-17-22-9-5-4-8-21(22)16-23(24)26(29)30/h1-11,13-14,16-17H,12,15H2,(H,27,28)(H,29,30)
InChIKeyMFIDQOYUQUTLOS-UHFFFAOYSA-N
XLogP5.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
3-[[2-[4-(4-butylphenyl)phenyl]acetyl]amino]naphthalene-2-carboxylic acid
CID 146620058
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
CID 143234447
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
4-bromo-2-(3-phenylpropanoylamino)benzoic acid
CID 60915838
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
4-[3-[4-(3-aminophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid
CID 89378211
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
N-carbamoyl-3-(4-phenylphenyl)propanamide
CID 173148177
2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid (CID 146620003) is 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid is O=C(CCc1ccc(-c2ccccc2)cc1)Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid?
The InChIKey is MFIDQOYUQUTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c28-25(15-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)27-24-17-22-9-5-4-8-21(22)16-23(24)26(29)30/h1-11,13-14,16-17H,12,15H2,(H,27,28)(H,29,30).
What are the key properties of 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid?
3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 146620003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).