1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

C17H23NO3 — CID 115445142

IUPAC1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCCCc1ccc(C(=O)NCC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-5-13-6-8-14(9-7-13)15(19)18-12-17(16(20)21)10-4-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyYCWDQCMIXAGHFS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds7

About 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445142) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445142
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCCCc1ccc(C(=O)NCC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-5-13-6-8-14(9-7-13)15(19)18-12-17(16(20)21)10-4-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyYCWDQCMIXAGHFS-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[[[4-(methylsulfonylmethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543837
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
1-[[(3,5-dibromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 107971653
1-[[(3-amino-4-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445882
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543852
1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544176

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445142) is 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is CCCCc1ccc(C(=O)NCC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is YCWDQCMIXAGHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-5-13-6-8-14(9-7-13)15(19)18-12-17(16(20)21)10-4-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).