8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C16H18N2O4 — CID 46087308

IUPAC8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc2c1CCc1ccc(OC)cc1-2
InChIInChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-12-6-4-10-3-5-11(21-2)9-13(10)15(12)22-18-14/h3,5,9H,4,6-8H2,1-2H3,(H,17,19)
InChIKeySZCNOIZBSVPBQW-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.83
Rot. Bonds5

About 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 46087308) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID46087308
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc2c1CCc1ccc(OC)cc1-2
InChIInChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-12-6-4-10-3-5-11(21-2)9-13(10)15(12)22-18-14/h3,5,9H,4,6-8H2,1-2H3,(H,17,19)
InChIKeySZCNOIZBSVPBQW-UHFFFAOYSA-N
XLogP1.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide 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

8-methoxy-N,N-dipropyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087270
N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46092656
8-methoxy-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 92760139
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3240737
7-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253421
N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943610
N-butyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427639
7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 6621302
13-methoxy-3-oxa-4-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,12,14-pentaene-5-carboxylic acid
CID 118514645
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253431
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17253405

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 46087308) is 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COCCNC(=O)c1noc2c1CCc1ccc(OC)cc1-2.
What is the InChIKey of 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is SZCNOIZBSVPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-12-6-4-10-3-5-11(21-2)9-13(10)15(12)22-18-14/h3,5,9H,4,6-8H2,1-2H3,(H,17,19).
What are the key properties of 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 46087308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).