2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid

C26H24N2O4 — CID 68967095

IUPAC2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)C4CC4C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O4/c1-2-16-3-11-20(12-4-16)27-26(32)28-21-13-9-18(10-14-21)17-5-7-19(8-6-17)24(29)22-15-23(22)25(30)31/h3-14,22-23H,2,15H2,1H3,(H,30,31)(H2,27,28,32)
InChIKeyYCTYBYBTMAREGI-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.46
Rot. Bonds7

About 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid

2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid (PubChem CID 68967095) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
PubChem CID68967095
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)C4CC4C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O4/c1-2-16-3-11-20(12-4-16)27-26(32)28-21-13-9-18(10-14-21)17-5-7-19(8-6-17)24(29)22-15-23(22)25(30)31/h3-14,22-23H,2,15H2,1H3,(H,30,31)(H2,27,28,32)
InChIKeyYCTYBYBTMAREGI-UHFFFAOYSA-N
XLogP5.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68964971
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68968261
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
trans-(1R,2R)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722438
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
CID 143314196
4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
CID 114512492
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
1-(4-ethylphenyl)-3-methylurea
CID 54250791
trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24864912
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid (CID 68967095) is 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid is CCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)C4CC4C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YCTYBYBTMAREGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-2-16-3-11-20(12-4-16)27-26(32)28-21-13-9-18(10-14-21)17-5-7-19(8-6-17)24(29)22-15-23(22)25(30)31/h3-14,22-23H,2,15H2,1H3,(H,30,31)(H2,27,28,32).
What are the key properties of 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid?
2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid has a molecular weight of 428.49 g/mol, XLogP of 5.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-ethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68967095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).