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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Related Compounds

1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030533
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
(2S)-N,N-bis(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61164821
1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea
CID 122561606
N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide
CID 64563044
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528
cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 95347863
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242

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).