4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 122023364

IUPAC4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1
InChIInChI=1S/C19H26N2O4/c22-17-9-3-14(4-10-17)12-21(11-13-1-2-13)19(25)20-16-7-5-15(6-8-16)18(23)24/h3-4,9-10,13,15-16,22H,1-2,5-8,11-12H2,(H,20,25)(H,23,24)
InChIKeyWAYIVDSBPMNUHN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.96
Rot. Bonds6

About 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023364) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023364
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1
InChIInChI=1S/C19H26N2O4/c22-17-9-3-14(4-10-17)12-21(11-13-1-2-13)19(25)20-16-7-5-15(6-8-16)18(23)24/h3-4,9-10,13,15-16,22H,1-2,5-8,11-12H2,(H,20,25)(H,23,24)
InChIKeyWAYIVDSBPMNUHN-UHFFFAOYSA-N
XLogP2.96
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea
CID 111432806
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
4-[[benzyl(oxan-4-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023573
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024359
4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]butanoic acid
CID 122023092
4-[[(4-cyanophenyl)methyl-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025120
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide
CID 136534363
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122023364) is 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1.
What is the InChIKey of 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WAYIVDSBPMNUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17-9-3-14(4-10-17)12-21(11-13-1-2-13)19(25)20-16-7-5-15(6-8-16)18(23)24/h3-4,9-10,13,15-16,22H,1-2,5-8,11-12H2,(H,20,25)(H,23,24).
What are the key properties of 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).