2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid

C22H25NO3 — CID 120974597

IUPAC2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(18-14-15-19(18)22(25)26)23-20(17-11-5-2-6-12-17)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18-20H,7,10,13-15H2,(H,23,24)(H,25,26)
InChIKeyHFCNVQDQADOWRK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.98
Rot. Bonds8

About 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid

2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 120974597) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID120974597
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(18-14-15-19(18)22(25)26)23-20(17-11-5-2-6-12-17)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18-20H,7,10,13-15H2,(H,23,24)(H,25,26)
InChIKeyHFCNVQDQADOWRK-UHFFFAOYSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975659
2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide
CID 112834732
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea
CID 112834731
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride
CID 119341740

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid (CID 120974597) is 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is HFCNVQDQADOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(18-14-15-19(18)22(25)26)23-20(17-11-5-2-6-12-17)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18-20H,7,10,13-15H2,(H,23,24)(H,25,26).
What are the key properties of 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid?
2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).