4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C20H28N2O3 — CID 122025029

IUPAC4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccccc2)CC2CCC2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(24)17-9-11-18(12-10-17)21-20(25)22(14-16-7-4-8-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,21,25)(H,23,24)
InChIKeyFXEFELZWXHVAEG-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.64
Rot. Bonds6

About 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025029) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025029
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccccc2)CC2CCC2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(24)17-9-11-18(12-10-17)21-20(25)22(14-16-7-4-8-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,21,25)(H,23,24)
InChIKeyFXEFELZWXHVAEG-UHFFFAOYSA-N
XLogP3.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[benzyl(oxan-4-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023573
4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023364
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024359
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549
1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea
CID 111432806
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122025029) is 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N(Cc2ccccc2)CC2CCC2)CC1.
What is the InChIKey of 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FXEFELZWXHVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(24)17-9-11-18(12-10-17)21-20(25)22(14-16-7-4-8-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 344.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).