1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

C23H26N4O4 — CID 47050133

IUPAC1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H26N4O4/c28-23(25-15-19-5-2-8-24-22(19)27-9-12-29-13-10-27)26-20-6-1-4-18(14-20)16-30-17-21-7-3-11-31-21/h1-8,11,14H,9-10,12-13,15-17H2,(H2,25,26,28)
InChIKeyCCNSAWHTWOLFRH-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.55
Rot. Bonds8

About 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (PubChem CID 47050133) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
PubChem CID47050133
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H26N4O4/c28-23(25-15-19-5-2-8-24-22(19)27-9-12-29-13-10-27)26-20-6-1-4-18(14-20)16-30-17-21-7-3-11-31-21/h1-8,11,14H,9-10,12-13,15-17H2,(H2,25,26,28)
InChIKeyCCNSAWHTWOLFRH-UHFFFAOYSA-N
XLogP3.55
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47033056
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819421
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (CID 47050133) is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The InChIKey is CCNSAWHTWOLFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-23(25-15-19-5-2-8-24-22(19)27-9-12-29-13-10-27)26-20-6-1-4-18(14-20)16-30-17-21-7-3-11-31-21/h1-8,11,14H,9-10,12-13,15-17H2,(H2,25,26,28).
What are the key properties of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea has a molecular weight of 422.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 47050133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).