4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C22H26N2O3 — CID 122025022

IUPAC4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(26)17-7-9-19(10-8-17)23-22(27)24(20-11-12-20)14-15-5-6-16-3-1-2-4-18(16)13-15/h1-6,13,17,19-20H,7-12,14H2,(H,23,27)(H,25,26)
InChIKeyICUYODMJPLOJAA-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.16
Rot. Bonds5

About 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025022) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025022
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(26)17-7-9-19(10-8-17)23-22(27)24(20-11-12-20)14-15-5-6-16-3-1-2-4-18(16)13-15/h1-6,13,17,19-20H,7-12,14H2,(H,23,27)(H,25,26)
InChIKeyICUYODMJPLOJAA-UHFFFAOYSA-N
XLogP4.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
CID 110901151
4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024406
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024359
4-[[(4-chloro-3-fluorophenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023644
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122025022) is 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)CC1.
What is the InChIKey of 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ICUYODMJPLOJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(26)17-7-9-19(10-8-17)23-22(27)24(20-11-12-20)14-15-5-6-16-3-1-2-4-18(16)13-15/h1-6,13,17,19-20H,7-12,14H2,(H,23,27)(H,25,26).
What are the key properties of 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).