1-(4-acetylcyclohexyl)-3-methylurea

C10H18N2O2 — CID 58664366

IUPAC1-(4-acetylcyclohexyl)-3-methylurea
SMILESCNC(=O)NC1CCC(C(C)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-7(13)8-3-5-9(6-4-8)12-10(14)11-2/h8-9H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyBGDSGXPCAOPKCU-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.06
Rot. Bonds2

About 1-(4-acetylcyclohexyl)-3-methylurea

1-(4-acetylcyclohexyl)-3-methylurea (PubChem CID 58664366) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4-acetylcyclohexyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-acetylcyclohexyl)-3-methylurea
PubChem CID58664366
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(4-acetylcyclohexyl)-3-methylurea
SMILESCNC(=O)NC1CCC(C(C)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-7(13)8-3-5-9(6-4-8)12-10(14)11-2/h8-9H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyBGDSGXPCAOPKCU-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113
1-methyl-3-piperidin-4-ylurea
CID 18759970
N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 58356146
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide
CID 166654553
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
CID 136531999
1-methyl-3-pyrazolidin-4-ylurea
CID 70272773
1-cyclopent-3-en-1-yl-3-methylurea
CID 115695215
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465769

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylcyclohexyl)-3-methylurea?
The IUPAC name of 1-(4-acetylcyclohexyl)-3-methylurea (CID 58664366) is 1-(4-acetylcyclohexyl)-3-methylurea.
What is the SMILES notation for 1-(4-acetylcyclohexyl)-3-methylurea?
The canonical SMILES for 1-(4-acetylcyclohexyl)-3-methylurea is CNC(=O)NC1CCC(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylcyclohexyl)-3-methylurea?
The InChIKey is BGDSGXPCAOPKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)8-3-5-9(6-4-8)12-10(14)11-2/h8-9H,3-6H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(4-acetylcyclohexyl)-3-methylurea?
1-(4-acetylcyclohexyl)-3-methylurea has a molecular weight of 198.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylcyclohexyl)-3-methylurea is sourced from PubChem (CID 58664366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).