1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea

C19H29N3O2 — CID 110633807

IUPAC1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESO=C(Nc1ccc(CCCN2CCCC2)cc1)NC1CCOCC1
InChIInChI=1S/C19H29N3O2/c23-19(21-18-9-14-24-15-10-18)20-17-7-5-16(6-8-17)4-3-13-22-11-1-2-12-22/h5-8,18H,1-4,9-15H2,(H2,20,21,23)
InChIKeyFBRVMAMLAIAZST-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.02
Rot. Bonds6

About 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea

1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea (PubChem CID 110633807) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
PubChem CID110633807
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESO=C(Nc1ccc(CCCN2CCCC2)cc1)NC1CCOCC1
InChIInChI=1S/C19H29N3O2/c23-19(21-18-9-14-24-15-10-18)20-17-7-5-16(6-8-17)4-3-13-22-11-1-2-12-22/h5-8,18H,1-4,9-15H2,(H2,20,21,23)
InChIKeyFBRVMAMLAIAZST-UHFFFAOYSA-N
XLogP3.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126793528
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
CID 110633806
2-fluoro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 107796002
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
The IUPAC name of 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea (CID 110633807) is 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
The canonical SMILES for 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea is O=C(Nc1ccc(CCCN2CCCC2)cc1)NC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
The InChIKey is FBRVMAMLAIAZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(21-18-9-14-24-15-10-18)20-17-7-5-16(6-8-17)4-3-13-22-11-1-2-12-22/h5-8,18H,1-4,9-15H2,(H2,20,21,23).
What are the key properties of 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea has a molecular weight of 331.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea is sourced from PubChem (CID 110633807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).