4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 63784879

IUPAC4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-17(5-2)10-11(3)16-14(18)12-6-8-13(9-7-12)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUPIYVSVNTSZRSF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds7

About 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid

4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784879) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784879
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-17(5-2)10-11(3)16-14(18)12-6-8-13(9-7-12)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUPIYVSVNTSZRSF-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319618
4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674506
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296
4-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673225
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63784879) is 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid is CCN(CC)CC(C)NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UPIYVSVNTSZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(5-2)10-11(3)16-14(18)12-6-8-13(9-7-12)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).