4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 60809865

IUPAC4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CCC)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(6-8-13)15(19)20/h12-13,16H,3-11H2,1-2H3,(H,19,20)
InChIKeyFGFGIFPGMVHLEN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds8

About 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809865) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809865
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CCC)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(6-8-13)15(19)20/h12-13,16H,3-11H2,1-2H3,(H,19,20)
InChIKeyFGFGIFPGMVHLEN-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N,N-dipropylacetamide
CID 54816383
2-(cyclopentylamino)-N-ethyl-N-propylacetamide
CID 60848831
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
2-(cyclopentylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 54916119
methyl 2-[[2-(cyclopentylamino)acetyl]-propylamino]acetate
CID 54871719
2-(cyclopentylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60944875
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783137
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
CID 60808095
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917
N,N-diethyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 112695082

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60809865) is 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CCCN(CCC)C(=O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FGFGIFPGMVHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-9-17(10-4-2)14(18)11-16-13-7-5-12(6-8-13)15(19)20/h12-13,16H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).