2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid

C28H27NO4 — CID 68964971

IUPAC2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
SMILESCCCCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)C4CC4C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C28H27NO4/c1-2-3-4-18-5-7-22(8-6-18)27(31)29-23-15-13-20(14-16-23)19-9-11-21(12-10-19)26(30)24-17-25(24)28(32)33/h5-16,24-25H,2-4,17H2,1H3,(H,29,31)(H,32,33)
InChIKeySJVCPWSJETUJTJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.85
Rot. Bonds9

About 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid

2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid (PubChem CID 68964971) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
PubChem CID68964971
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
SMILESCCCCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)C4CC4C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C28H27NO4/c1-2-3-4-18-5-7-22(8-6-18)27(31)29-23-15-13-20(14-16-23)19-9-11-21(12-10-19)26(30)24-17-25(24)28(32)33/h5-16,24-25H,2-4,17H2,1H3,(H,29,31)(H,32,33)
InChIKeySJVCPWSJETUJTJ-UHFFFAOYSA-N
XLogP5.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68967095
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 53108619
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
(2R)-2-[[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]benzoyl]amino]-3-methylbutanoic acid
CID 59151012
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid (CID 68964971) is 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid is CCCCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)C4CC4C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SJVCPWSJETUJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-2-3-4-18-5-7-22(8-6-18)27(31)29-23-15-13-20(14-16-23)19-9-11-21(12-10-19)26(30)24-17-25(24)28(32)33/h5-16,24-25H,2-4,17H2,1H3,(H,29,31)(H,32,33).
What are the key properties of 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid has a molecular weight of 441.53 g/mol, XLogP of 5.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68964971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).