2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid

C24H23NO4 — CID 24738388

IUPAC2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
SMILESCc1ccc(C(=O)N(c2ccc(Oc3ccccc3)cc2C(=O)O)C(C)C)cc1
InChIInChI=1S/C24H23NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-16H,1-3H3,(H,27,28)
InChIKeyXHSPPIPQRMDSFG-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.54
Rot. Bonds6

About 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid

2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid (PubChem CID 24738388) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
PubChem CID24738388
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
SMILESCc1ccc(C(=O)N(c2ccc(Oc3ccccc3)cc2C(=O)O)C(C)C)cc1
InChIInChI=1S/C24H23NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-16H,1-3H3,(H,27,28)
InChIKeyXHSPPIPQRMDSFG-UHFFFAOYSA-N
XLogP5.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
CID 24738387
2-[(3,4-dichlorobenzoyl)-propan-2-ylamino]-5-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 24738551
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-4-phenoxybenzoic acid
CID 72725125
2-benzyl-4-[3-carboxy-4-(4-methyl-N-sulfinatoanilino)phenoxy]-1-(4-methyl-N-sulfinatoanilino)benzene
CID 68672223
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide
CID 54481452
5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
The IUPAC name of 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid (CID 24738388) is 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid.
What is the SMILES notation for 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
The canonical SMILES for 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid is Cc1ccc(C(=O)N(c2ccc(Oc3ccccc3)cc2C(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
The InChIKey is XHSPPIPQRMDSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-16H,1-3H3,(H,27,28).
What are the key properties of 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid has a molecular weight of 389.45 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid is sourced from PubChem (CID 24738388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).