2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide

C12H23N3O2 — CID 113410032

IUPAC2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCCNC(=O)CCNC(=O)C1CCCCC1N
InChIInChI=1S/C12H23N3O2/c1-2-14-11(16)7-8-15-12(17)9-5-3-4-6-10(9)13/h9-10H,2-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyWBMNMXOGHLKGDY-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.15
Rot. Bonds5

About 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide

2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide (PubChem CID 113410032) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide
PubChem CID113410032
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCCNC(=O)CCNC(=O)C1CCCCC1N
InChIInChI=1S/C12H23N3O2/c1-2-14-11(16)7-8-15-12(17)9-5-3-4-6-10(9)13/h9-10H,2-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyWBMNMXOGHLKGDY-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(diethylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 64824545
2-amino-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 62777345
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide
CID 106336914
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]cyclohexane-1-carboxamide
CID 103814332
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 64824842
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
CID 62781908
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
2-amino-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221074
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide (CID 113410032) is 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide is CCNC(=O)CCNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The InChIKey is WBMNMXOGHLKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-14-11(16)7-8-15-12(17)9-5-3-4-6-10(9)13/h9-10H,2-8,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113410032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).