N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide

C10H17N3O3 — CID 79120015

IUPACN-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCN(CC(=O)NC(N)=O)C1CCC(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-13(6-9(15)12-10(11)16)7-2-4-8(14)5-3-7/h7H,2-6H2,1H3,(H3,11,12,15,16)
InChIKeyODTZMOUVDWYAPU-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.38
Rot. Bonds3

About N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide

N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide (PubChem CID 79120015) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
PubChem CID79120015
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
SMILESCN(CC(=O)NC(N)=O)C1CCC(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-13(6-9(15)12-10(11)16)7-2-4-8(14)5-3-7/h7H,2-6H2,1H3,(H3,11,12,15,16)
InChIKeyODTZMOUVDWYAPU-UHFFFAOYSA-N
XLogP-0.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120254
N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120506
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765
N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120336
butyl 2-[methyl-(4-oxocyclohexyl)amino]acetate
CID 79119526
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one
CID 79120099
4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
CID 79120512
methyl 2,2-dimethyl-3-[methyl-(4-oxocyclohexyl)amino]propanoate
CID 79623383
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide (CID 79120015) is N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide is CN(CC(=O)NC(N)=O)C1CCC(=O)CC1.
What is the InChIKey of N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
The InChIKey is ODTZMOUVDWYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13(6-9(15)12-10(11)16)7-2-4-8(14)5-3-7/h7H,2-6H2,1H3,(H3,11,12,15,16).
What are the key properties of N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide?
N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide has a molecular weight of 227.26 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide is sourced from PubChem (CID 79120015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).