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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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).