1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea

C10H20N4O2 — CID 71020449

IUPAC1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
SMILESCNC(=O)NC1CCCCC1NC(=O)NC
InChIInChI=1S/C10H20N4O2/c1-11-9(15)13-7-5-3-4-6-8(7)14-10(16)12-2/h7-8H,3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyHYTABHUCCHKKTD-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.16
Rot. Bonds2

About 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea

1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea (PubChem CID 71020449) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
PubChem CID71020449
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
SMILESCNC(=O)NC1CCCCC1NC(=O)NC
InChIInChI=1S/C10H20N4O2/c1-11-9(15)13-7-5-3-4-6-8(7)14-10(16)12-2/h7-8H,3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyHYTABHUCCHKKTD-UHFFFAOYSA-N
XLogP0.16
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
CID 138652029
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea
CID 144606750
1-methyl-3-piperidin-4-ylurea
CID 18759970
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea?
The IUPAC name of 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea (CID 71020449) is 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea?
The canonical SMILES for 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea is CNC(=O)NC1CCCCC1NC(=O)NC.
What is the InChIKey of 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea?
The InChIKey is HYTABHUCCHKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-11-9(15)13-7-5-3-4-6-8(7)14-10(16)12-2/h7-8H,3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16).
What are the key properties of 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea?
1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea has a molecular weight of 228.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea is sourced from PubChem (CID 71020449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).