1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea

C17H21N3O5 — CID 30836713

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCOc1cccc(CN(C)C(=O)NNC(=O)c2ccoc2C)c1OC
InChIInChI=1S/C17H21N3O5/c1-11-13(8-9-25-11)16(21)18-19-17(22)20(2)10-12-6-5-7-14(23-3)15(12)24-4/h5-9H,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyJYAARCZNPNQOHQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.09
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea

1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea (PubChem CID 30836713) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea
PubChem CID30836713
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCOc1cccc(CN(C)C(=O)NNC(=O)c2ccoc2C)c1OC
InChIInChI=1S/C17H21N3O5/c1-11-13(8-9-25-11)16(21)18-19-17(22)20(2)10-12-6-5-7-14(23-3)15(12)24-4/h5-9H,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyJYAARCZNPNQOHQ-UHFFFAOYSA-N
XLogP2.09
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664239
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221876
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea (CID 30836713) is 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea is COc1cccc(CN(C)C(=O)NNC(=O)c2ccoc2C)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea?
The InChIKey is JYAARCZNPNQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11-13(8-9-25-11)16(21)18-19-17(22)20(2)10-12-6-5-7-14(23-3)15(12)24-4/h5-9H,10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea?
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea has a molecular weight of 347.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(2-methylfuran-3-carbonyl)amino]urea is sourced from PubChem (CID 30836713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).