[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea

C20H23N3O3 — CID 46699396

IUPAC[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-26-17-11-7-14(8-12-17)18-4-3-13-23(18)19(24)15-5-9-16(10-6-15)22-20(21)25/h5-12,18H,2-4,13H2,1H3,(H3,21,22,25)
InChIKeyWNYCMFGLNLQHKR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.55
Rot. Bonds5

About [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea

[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea (PubChem CID 46699396) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
PubChem CID46699396
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-26-17-11-7-14(8-12-17)18-4-3-13-23(18)19(24)15-5-9-16(10-6-15)22-20(21)25/h5-12,18H,2-4,13H2,1H3,(H3,21,22,25)
InChIKeyWNYCMFGLNLQHKR-UHFFFAOYSA-N
XLogP3.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 18098159
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 134048762
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 25491169
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea (CID 46699396) is [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea is CCOc1ccc(C2CCCN2C(=O)c2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea?
The InChIKey is WNYCMFGLNLQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-26-17-11-7-14(8-12-17)18-4-3-13-23(18)19(24)15-5-9-16(10-6-15)22-20(21)25/h5-12,18H,2-4,13H2,1H3,(H3,21,22,25).
What are the key properties of [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea?
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea has a molecular weight of 353.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 46699396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).