1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea

C17H20N2O4 — CID 56824790

IUPAC1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea
SMILESCOc1cccc2c1OCC(NC(=O)N(C)Cc1ccco1)C2
InChIInChI=1S/C17H20N2O4/c1-19(10-14-6-4-8-22-14)17(20)18-13-9-12-5-3-7-15(21-2)16(12)23-11-13/h3-8,13H,9-11H2,1-2H3,(H,18,20)
InChIKeyJWVTWRFQVKTYPS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.43
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea

1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea (PubChem CID 56824790) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea
PubChem CID56824790
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea
SMILESCOc1cccc2c1OCC(NC(=O)N(C)Cc1ccco1)C2
InChIInChI=1S/C17H20N2O4/c1-19(10-14-6-4-8-22-14)17(20)18-13-9-12-5-3-7-15(21-2)16(12)23-11-13/h3-8,13H,9-11H2,1-2H3,(H,18,20)
InChIKeyJWVTWRFQVKTYPS-UHFFFAOYSA-N
XLogP2.43
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95977707
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]thiomorpholine-4-carboxamide
CID 95977711
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2,2,2-trifluoroethylamino)propanamide
CID 96539789
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea (CID 56824790) is 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea is COc1cccc2c1OCC(NC(=O)N(C)Cc1ccco1)C2.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea?
The InChIKey is JWVTWRFQVKTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19(10-14-6-4-8-22-14)17(20)18-13-9-12-5-3-7-15(21-2)16(12)23-11-13/h3-8,13H,9-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea?
1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea has a molecular weight of 316.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea is sourced from PubChem (CID 56824790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).