1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea

C20H25N3O2 — CID 56782102

IUPAC1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCCOCc1ccccc1NC(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c1-2-25-15-16-8-6-7-11-19(16)22-20(24)21-17-12-13-23(14-17)18-9-4-3-5-10-18/h3-11,17H,2,12-15H2,1H3,(H2,21,22,24)
InChIKeyJBBSDPDCKLQQIU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds6

About 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea

1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea (PubChem CID 56782102) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea
PubChem CID56782102
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCCOCc1ccccc1NC(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c1-2-25-15-16-8-6-7-11-19(16)22-20(24)21-17-12-13-23(14-17)18-9-4-3-5-10-18/h3-11,17H,2,12-15H2,1H3,(H2,21,22,24)
InChIKeyJBBSDPDCKLQQIU-UHFFFAOYSA-N
XLogP3.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea
CID 71453334
benzyl N-[(5R)-6-oxo-1,2,3,5,7,11b-hexahydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]carbamate
CID 155543655
Urea, 1-(1-benzyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)-
CID 209547
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3242380
benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 683902
2-[[2-(Methoxymethyl)anilino]methyl]aniline
CID 66385053
Carbanilic acid, o-(butoxymethyl)-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
CID 54485
1-[2-(Methoxymethyl)phenyl]-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)urea
CID 14763354
1-[[2-(Methoxymethyl)phenyl]methyl]-3-phenylurea
CID 32057494
benzyl N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]carbamate
CID 44438307
1-[(3-Fluorophenyl)methyl]-3-[2-(methoxymethyl)phenyl]urea
CID 45822191
1-[2-(Ethoxymethyl)phenyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49117261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea (CID 56782102) is 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea is CCOCc1ccccc1NC(=O)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea?
The InChIKey is JBBSDPDCKLQQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-15-16-8-6-7-11-19(16)22-20(24)21-17-12-13-23(14-17)18-9-4-3-5-10-18/h3-11,17H,2,12-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea?
1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-3-(1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 56782102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).