1,1-dimethyl-3-(1-phenylcyclopropyl)urea

C12H16N2O — CID 11217964

IUPAC1,1-dimethyl-3-(1-phenylcyclopropyl)urea
SMILESCN(C)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C12H16N2O/c1-14(2)11(15)13-12(8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
InChIKeyYDCDNEBFVDAGJH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.95
Rot. Bonds2

About 1,1-dimethyl-3-(1-phenylcyclopropyl)urea

1,1-dimethyl-3-(1-phenylcyclopropyl)urea (PubChem CID 11217964) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-phenylcyclopropyl)urea
PubChem CID11217964
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,1-dimethyl-3-(1-phenylcyclopropyl)urea
SMILESCN(C)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C12H16N2O/c1-14(2)11(15)13-12(8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
InChIKeyYDCDNEBFVDAGJH-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
CID 110490764
3-[1-(2-aminophenyl)cyclopropyl]-1,1-dimethylurea
CID 110491045
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea
CID 67422842
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-(dimethylamino)-2-(4-methylphenyl)-N-(1-phenylcyclopropyl)acetamide
CID 72856255
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(1-phenylcyclobutyl)acetamide
CID 87014095
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-phenylcyclopropyl)urea (CID 11217964) is 1,1-dimethyl-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-phenylcyclopropyl)urea is CN(C)C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 1,1-dimethyl-3-(1-phenylcyclopropyl)urea?
The InChIKey is YDCDNEBFVDAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)11(15)13-12(8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(1-phenylcyclopropyl)urea?
1,1-dimethyl-3-(1-phenylcyclopropyl)urea has a molecular weight of 204.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 11217964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).