N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide

C12H21N3O3 — CID 79120588

IUPACN-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)C1CCC(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-8(11(17)14-12(18)13-2)15(3)9-4-6-10(16)7-5-9/h8-9H,4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyPFQMCQMIFWIMCU-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.27
Rot. Bonds3

About N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide

N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide (PubChem CID 79120588) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
PubChem CID79120588
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)C1CCC(=O)CC1
InChIInChI=1S/C12H21N3O3/c1-8(11(17)14-12(18)13-2)15(3)9-4-6-10(16)7-5-9/h8-9H,4-7H2,1-3H3,(H2,13,14,17,18)
InChIKeyPFQMCQMIFWIMCU-UHFFFAOYSA-N
XLogP0.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide
CID 79120428
N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120172
4-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclohexan-1-one
CID 79120030
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 114762043
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 116652580
2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945067
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
4-[but-3-en-2-yl(methyl)amino]cyclohexan-1-one
CID 79120022
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide (CID 79120588) is N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide is CNC(=O)NC(=O)C(C)N(C)C1CCC(=O)CC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
The InChIKey is PFQMCQMIFWIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(11(17)14-12(18)13-2)15(3)9-4-6-10(16)7-5-9/h8-9H,4-7H2,1-3H3,(H2,13,14,17,18).
What are the key properties of N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide?
N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide has a molecular weight of 255.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide is sourced from PubChem (CID 79120588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).