4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C19H25NO3 — CID 120673677

IUPAC4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C19H25NO3/c1-20(17-11-10-13-4-2-3-5-16(13)12-17)18(21)14-6-8-15(9-7-14)19(22)23/h2-5,14-15,17H,6-12H2,1H3,(H,22,23)
InChIKeyDLWPFEQBEPTLGL-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.89
Rot. Bonds3

About 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673677) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673677
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C19H25NO3/c1-20(17-11-10-13-4-2-3-5-16(13)12-17)18(21)14-6-8-15(9-7-14)19(22)23/h2-5,14-15,17H,6-12H2,1H3,(H,22,23)
InChIKeyDLWPFEQBEPTLGL-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673677) is 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCC(C(=O)O)CC1)C1CCc2ccccc2C1.
What is the InChIKey of 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DLWPFEQBEPTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-20(17-11-10-13-4-2-3-5-16(13)12-17)18(21)14-6-8-15(9-7-14)19(22)23/h2-5,14-15,17H,6-12H2,1H3,(H,22,23).
What are the key properties of 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).