1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea

C19H23N3O4 — CID 71884581

IUPAC1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea
SMILESO=C1NCCCCC1NC(=O)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H23N3O4/c23-17-9-2-1-6-14(17)12-22(13-15-7-5-11-26-15)19(25)21-16-8-3-4-10-20-18(16)24/h1-2,5-7,9,11,16,23H,3-4,8,10,12-13H2,(H,20,24)(H,21,25)
InChIKeyJOBMYDKBCKOWPV-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.37
Rot. Bonds5

About 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea

1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea (PubChem CID 71884581) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea
PubChem CID71884581
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea
SMILESO=C1NCCCCC1NC(=O)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H23N3O4/c23-17-9-2-1-6-14(17)12-22(13-15-7-5-11-26-15)19(25)21-16-8-3-4-10-20-18(16)24/h1-2,5-7,9,11,16,23H,3-4,8,10,12-13H2,(H,20,24)(H,21,25)
InChIKeyJOBMYDKBCKOWPV-UHFFFAOYSA-N
XLogP2.37
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea (CID 71884581) is 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea is O=C1NCCCCC1NC(=O)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea?
The InChIKey is JOBMYDKBCKOWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17-9-2-1-6-14(17)12-22(13-15-7-5-11-26-15)19(25)21-16-8-3-4-10-20-18(16)24/h1-2,5-7,9,11,16,23H,3-4,8,10,12-13H2,(H,20,24)(H,21,25).
What are the key properties of 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea?
1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea has a molecular weight of 357.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-oxoazepan-3-yl)urea is sourced from PubChem (CID 71884581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).