1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea

C14H20N2O3 — CID 110490769

IUPAC1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea
SMILESCOC(CNC(=O)NC1(c2ccccc2)CC1)OC
InChIInChI=1S/C14H20N2O3/c1-18-12(19-2)10-15-13(17)16-14(8-9-14)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,17)
InChIKeyMLUZYRIQFBRWOT-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.59
Rot. Bonds6

About 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea

1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 110490769) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea
PubChem CID110490769
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea
SMILESCOC(CNC(=O)NC1(c2ccccc2)CC1)OC
InChIInChI=1S/C14H20N2O3/c1-18-12(19-2)10-15-13(17)16-14(8-9-14)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,17)
InChIKeyMLUZYRIQFBRWOT-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
CID 110469237
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea (CID 110490769) is 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea is COC(CNC(=O)NC1(c2ccccc2)CC1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is MLUZYRIQFBRWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12(19-2)10-15-13(17)16-14(8-9-14)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea?
1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 110490769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).