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

C23H24N2O5 — CID 3240737

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2
InChIInChI=1S/C23H24N2O5/c1-27-16-6-8-17-15(13-16)5-7-18-21(25-30-22(17)18)23(26)24-11-10-14-4-9-19(28-2)20(12-14)29-3/h4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,24,26)
InChIKeyLRMTXWLCOHYOLQ-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.44
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 3240737) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID3240737
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2
InChIInChI=1S/C23H24N2O5/c1-27-16-6-8-17-15(13-16)5-7-18-21(25-30-22(17)18)23(26)24-11-10-14-4-9-19(28-2)20(12-14)29-3/h4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,24,26)
InChIKeyLRMTXWLCOHYOLQ-UHFFFAOYSA-N
XLogP3.44
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253421
8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087308
N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 6621302
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943610
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859173

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 3240737) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is LRMTXWLCOHYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-27-16-6-8-17-15(13-16)5-7-18-21(25-30-22(17)18)23(26)24-11-10-14-4-9-19(28-2)20(12-14)29-3/h4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 3240737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).