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

C14H20N2O — CID 110445142

IUPAC1,1-diethyl-3-(1-phenylcyclopropyl)urea
SMILESCCN(CC)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c1-3-16(4-2)13(17)15-14(10-11-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17)
InChIKeyLJHOTCJBXPMBAK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds4

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

1,1-diethyl-3-(1-phenylcyclopropyl)urea (PubChem CID 110445142) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-phenylcyclopropyl)urea
PubChem CID110445142
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1,1-diethyl-3-(1-phenylcyclopropyl)urea
SMILESCCN(CC)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c1-3-16(4-2)13(17)15-14(10-11-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17)
InChIKeyLJHOTCJBXPMBAK-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzylurea
CID 10853
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-[4-(Dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride
CID 69218851
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-(tert-butyl)-N'-phenethylurea
CID 306674
N-benzylpyrrolidine-1-carboxamide
CID 6459037
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 748213

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1,1-diethyl-3-(1-phenylcyclopropyl)urea (CID 110445142) is 1,1-diethyl-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-phenylcyclopropyl)urea is CCN(CC)C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 1,1-diethyl-3-(1-phenylcyclopropyl)urea?
The InChIKey is LJHOTCJBXPMBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16(4-2)13(17)15-14(10-11-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17).
What are the key properties of 1,1-diethyl-3-(1-phenylcyclopropyl)urea?
1,1-diethyl-3-(1-phenylcyclopropyl)urea has a molecular weight of 232.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 110445142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).