4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide

C11H20N2O2 — CID 122579173

IUPAC4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NCC(C)=O)CC1
InChIInChI=1S/C11H20N2O2/c1-8(14)7-13-11(15)9-3-5-10(12-2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyGYSHMMWKLFYNJZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.47
Rot. Bonds4

About 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide

4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide (PubChem CID 122579173) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
PubChem CID122579173
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)NCC(C)=O)CC1
InChIInChI=1S/C11H20N2O2/c1-8(14)7-13-11(15)9-3-5-10(12-2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyGYSHMMWKLFYNJZ-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-(2,2-dimethylpropyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150663
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
2-(cyclopropanecarbonylamino)acetate
CID 6997226
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
CID 169021448

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide (CID 122579173) is 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide is CNC1CCC(C(=O)NCC(C)=O)CC1.
What is the InChIKey of 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The InChIKey is GYSHMMWKLFYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)7-13-11(15)9-3-5-10(12-2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide?
4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122579173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).