1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C18H25N3O4 — CID 71849127

IUPAC1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)NC1(CCO)CCOCC1
InChIInChI=1S/C18H25N3O4/c22-11-7-18(8-12-25-13-9-18)20-17(24)19-14-3-5-15(6-4-14)21-10-1-2-16(21)23/h3-6,22H,1-2,7-13H2,(H2,19,20,24)
InChIKeyUCWAMJFCIZNFRQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.87
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 71849127) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID71849127
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)NC1(CCO)CCOCC1
InChIInChI=1S/C18H25N3O4/c22-11-7-18(8-12-25-13-9-18)20-17(24)19-14-3-5-15(6-4-14)21-10-1-2-16(21)23/h3-6,22H,1-2,7-13H2,(H2,19,20,24)
InChIKeyUCWAMJFCIZNFRQ-UHFFFAOYSA-N
XLogP1.87
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid
CID 119214743
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
CID 128625442
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
1-(4-bromophenyl)-3-[4-(hydroxymethyl)oxan-4-yl]urea
CID 139532400
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55816777
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 71849127) is 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(Nc1ccc(N2CCCC2=O)cc1)NC1(CCO)CCOCC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is UCWAMJFCIZNFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-11-7-18(8-12-25-13-9-18)20-17(24)19-14-3-5-15(6-4-14)21-10-1-2-16(21)23/h3-6,22H,1-2,7-13H2,(H2,19,20,24).
What are the key properties of 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 347.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)oxan-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 71849127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).