3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 63044247

IUPAC3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-16(5-2)13(17)10(3)15-12-8-6-7-11(9-12)14(18)19/h10-12,15H,4-9H2,1-3H3,(H,18,19)
InChIKeyJCFLKFAGJDMKIM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds6

About 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid

3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63044247) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID63044247
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-16(5-2)13(17)10(3)15-12-8-6-7-11(9-12)14(18)19/h10-12,15H,4-9H2,1-3H3,(H,18,19)
InChIKeyJCFLKFAGJDMKIM-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
N,N-diethyl-2-[(3-methoxycyclohexyl)amino]propanamide
CID 112703045
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
2-(cyclobutylamino)-N-ethyl-N-methylpropanamide
CID 103108088
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881655
3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
3-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042305

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid (CID 63044247) is 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid is CCN(CC)C(=O)C(C)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JCFLKFAGJDMKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-16(5-2)13(17)10(3)15-12-8-6-7-11(9-12)14(18)19/h10-12,15H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).