1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea

C14H21N3O2 — CID 66213856

IUPAC1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(OC)c1)C1CNC1
InChIInChI=1S/C14H21N3O2/c1-3-7-17(12-9-15-10-12)14(18)16-11-5-4-6-13(8-11)19-2/h4-6,8,12,15H,3,7,9-10H2,1-2H3,(H,16,18)
InChIKeyRXTOJMSBFMXNQH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds5

About 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea

1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea (PubChem CID 66213856) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
PubChem CID66213856
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(OC)c1)C1CNC1
InChIInChI=1S/C14H21N3O2/c1-3-7-17(12-9-15-10-12)14(18)16-11-5-4-6-13(8-11)19-2/h4-6,8,12,15H,3,7,9-10H2,1-2H3,(H,16,18)
InChIKeyRXTOJMSBFMXNQH-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
CID 90607143
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
2-[azetidin-3-yl(propyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 66216515
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea?
The IUPAC name of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea (CID 66213856) is 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea?
The canonical SMILES for 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea is CCCN(C(=O)Nc1cccc(OC)c1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea?
The InChIKey is RXTOJMSBFMXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-7-17(12-9-15-10-12)14(18)16-11-5-4-6-13(8-11)19-2/h4-6,8,12,15H,3,7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea?
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea has a molecular weight of 263.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea is sourced from PubChem (CID 66213856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).