4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

C19H27ClN2O3 — CID 122024885

IUPAC4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(Cc1ccccc1Cl)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H27ClN2O3/c1-2-3-12-22(13-15-6-4-5-7-17(15)20)19(25)21-16-10-8-14(9-11-16)18(23)24/h4-7,14,16H,2-3,8-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyFTKZMJKKWPCERC-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.30
Rot. Bonds7

About 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024885) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024885
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(Cc1ccccc1Cl)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H27ClN2O3/c1-2-3-12-22(13-15-6-4-5-7-17(15)20)19(25)21-16-10-8-14(9-11-16)18(23)24/h4-7,14,16H,2-3,8-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyFTKZMJKKWPCERC-UHFFFAOYSA-N
XLogP4.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[[(2-bromophenyl)methyl-ethylcarbamoyl]amino]cyclohexane-1-carboxylic acid
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CID 22676717
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
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N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119769462
2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
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1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122024885) is 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is CCCCN(Cc1ccccc1Cl)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FTKZMJKKWPCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-2-3-12-22(13-15-6-4-5-7-17(15)20)19(25)21-16-10-8-14(9-11-16)18(23)24/h4-7,14,16H,2-3,8-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 366.89 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).