2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C13H22N4O2 — CID 60616778

IUPAC2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN(C)CC#N
InChIInChI=1S/C13H22N4O2/c1-10-5-3-4-6-11(10)15-13(19)16-12(18)9-17(2)8-7-14/h10-11H,3-6,8-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyHZJCPQOYJMQLSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds4

About 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 60616778) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID60616778
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN(C)CC#N
InChIInChI=1S/C13H22N4O2/c1-10-5-3-4-6-11(10)15-13(19)16-12(18)9-17(2)8-7-14/h10-11H,3-6,8-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyHZJCPQOYJMQLSF-UHFFFAOYSA-N
XLogP0.85
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
CID 124623956
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60500424
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide
CID 154607680
2-[2-acetamidoethyl-[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl]amino]propanoic acid
CID 122120549
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 41249140
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46812435
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 60616778) is 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)CN(C)CC#N.
What is the InChIKey of 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is HZJCPQOYJMQLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-5-3-4-6-11(10)15-13(19)16-12(18)9-17(2)8-7-14/h10-11H,3-6,8-9H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 60616778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).