4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 63783797

IUPAC4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(9-7-12)15(19)20/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGRCVJURORUSREH-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.73
Rot. Bonds8

About 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid

4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783797) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783797
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CCCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(9-7-12)15(19)20/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGRCVJURORUSREH-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
6-[3-(diethylamino)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 43396446
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
4-[[2-(diethylamino)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532481
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
1-[3-(diethylamino)propylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743904
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783797) is 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid is CCN(CC)CCCNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GRCVJURORUSREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(9-7-12)15(19)20/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).