1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea

C14H21N3O2 — CID 61310944

IUPAC1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
SMILESCCN(C(=O)Nc1cccc(OC)c1)C1CCNC1
InChIInChI=1S/C14H21N3O2/c1-3-17(12-7-8-15-10-12)14(18)16-11-5-4-6-13(9-11)19-2/h4-6,9,12,15H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyXTRYZTYOFLGTNC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds4

About 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea

1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea (PubChem CID 61310944) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
PubChem CID61310944
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
SMILESCCN(C(=O)Nc1cccc(OC)c1)C1CCNC1
InChIInChI=1S/C14H21N3O2/c1-3-17(12-7-8-15-10-12)14(18)16-11-5-4-6-13(9-11)19-2/h4-6,9,12,15H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyXTRYZTYOFLGTNC-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
CID 66213856
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
N-(3-methoxyphenyl)-2-pyrrolidin-3-yloxyacetamide
CID 62327564
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
CID 90607143

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea?
The IUPAC name of 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea (CID 61310944) is 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea?
The canonical SMILES for 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea is CCN(C(=O)Nc1cccc(OC)c1)C1CCNC1.
What is the InChIKey of 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea?
The InChIKey is XTRYZTYOFLGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(12-7-8-15-10-12)14(18)16-11-5-4-6-13(9-11)19-2/h4-6,9,12,15H,3,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea?
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea has a molecular weight of 263.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea is sourced from PubChem (CID 61310944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).