N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C21H20N2O5 — CID 3241613

IUPACN-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC)c(OC)c3)noc1-2
InChIInChI=1S/C21H20N2O5/c1-25-14-6-8-15-12(10-14)4-7-16-19(23-28-20(15)16)21(24)22-13-5-9-17(26-2)18(11-13)27-3/h5-6,8-11H,4,7H2,1-3H3,(H,22,24)
InChIKeyPELZYFPYXBGSIZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.72
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 3241613) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID3241613
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC)c(OC)c3)noc1-2
InChIInChI=1S/C21H20N2O5/c1-25-14-6-8-15-12(10-14)4-7-16-19(23-28-20(15)16)21(24)22-13-5-9-17(26-2)18(11-13)27-3/h5-6,8-11H,4,7H2,1-3H3,(H,22,24)
InChIKeyPELZYFPYXBGSIZ-UHFFFAOYSA-N
XLogP3.72
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-isobutyl-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 4063793
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
7-methoxy-N-(2-methoxyethyl)-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 3239940
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 3242723
[5-(3-hydroxyphenyl)isoxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)carboxamide
CID 5307652
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093729
Methyl 4,5-dimethoxy-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}benzoate
CID 1246353
5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazole-3-carboxamide
CID 3236665
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 3240737

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 3241613) is N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC)c(OC)c3)noc1-2.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is PELZYFPYXBGSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-25-14-6-8-15-12(10-14)4-7-16-19(23-28-20(15)16)21(24)22-13-5-9-17(26-2)18(11-13)27-3/h5-6,8-11H,4,7H2,1-3H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 3241613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).