1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea

C16H24N2O3 — CID 108887610

IUPAC1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC2CC2)cc1OCC
InChIInChI=1S/C16H24N2O3/c1-3-20-14-8-5-12(11-15(14)21-4-2)9-10-17-16(19)18-13-6-7-13/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyRKIGUMLWBPSKIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.49
Rot. Bonds8

About 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea

1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea (PubChem CID 108887610) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
PubChem CID108887610
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC2CC2)cc1OCC
InChIInChI=1S/C16H24N2O3/c1-3-20-14-8-5-12(11-15(14)21-4-2)9-10-17-16(19)18-13-6-7-13/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyRKIGUMLWBPSKIM-UHFFFAOYSA-N
XLogP2.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N-cyclopropyl-2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111246377
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78857793

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea (CID 108887610) is 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)NC2CC2)cc1OCC.
What is the InChIKey of 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
The InChIKey is RKIGUMLWBPSKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-14-8-5-12(11-15(14)21-4-2)9-10-17-16(19)18-13-6-7-13/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea?
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea is sourced from PubChem (CID 108887610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).