1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea

C20H31N3O3 — CID 110621713

IUPAC1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea
SMILESCCOc1ccc(C(CNC(=O)NC2CCOCC2)N2CCCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-2-26-18-7-5-16(6-8-18)19(23-11-3-4-12-23)15-21-20(24)22-17-9-13-25-14-10-17/h5-8,17,19H,2-4,9-15H2,1H3,(H2,21,22,24)
InChIKeyJOYZDFXCDQLBHD-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.70
Rot. Bonds7

About 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea

1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea (PubChem CID 110621713) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea
PubChem CID110621713
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea
SMILESCCOc1ccc(C(CNC(=O)NC2CCOCC2)N2CCCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-2-26-18-7-5-16(6-8-18)19(23-11-3-4-12-23)15-21-20(24)22-17-9-13-25-14-10-17/h5-8,17,19H,2-4,9-15H2,1H3,(H2,21,22,24)
InChIKeyJOYZDFXCDQLBHD-UHFFFAOYSA-N
XLogP2.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110622092
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
2-cyclopropyl-N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110621760
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962709
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 129367897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea (CID 110621713) is 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea is CCOc1ccc(C(CNC(=O)NC2CCOCC2)N2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea?
The InChIKey is JOYZDFXCDQLBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-2-26-18-7-5-16(6-8-18)19(23-11-3-4-12-23)15-21-20(24)22-17-9-13-25-14-10-17/h5-8,17,19H,2-4,9-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea?
1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea has a molecular weight of 361.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110621713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).