N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide

C24H31NO5 — CID 21122168

IUPACN-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide
SMILESCOc1ccc(C2CCc3cc(OC(C)C)c(OC)cc3C2N(C)C=O)cc1OC
InChIInChI=1S/C24H31NO5/c1-15(2)30-23-12-17-7-9-18(16-8-10-20(27-4)21(11-16)28-5)24(25(3)14-26)19(17)13-22(23)29-6/h8,10-15,18,24H,7,9H2,1-6H3
InChIKeyJPYAHQUNMYHNDY-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.36
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide

N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide (PubChem CID 21122168) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide
PubChem CID21122168
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide
SMILESCOc1ccc(C2CCc3cc(OC(C)C)c(OC)cc3C2N(C)C=O)cc1OC
InChIInChI=1S/C24H31NO5/c1-15(2)30-23-12-17-7-9-18(16-8-10-20(27-4)21(11-16)28-5)24(25(3)14-26)19(17)13-22(23)29-6/h8,10-15,18,24H,7,9H2,1-6H3
InChIKeyJPYAHQUNMYHNDY-UHFFFAOYSA-N
XLogP4.36
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide (CID 21122168) is N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide is COc1ccc(C2CCc3cc(OC(C)C)c(OC)cc3C2N(C)C=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide?
The InChIKey is JPYAHQUNMYHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-15(2)30-23-12-17-7-9-18(16-8-10-20(27-4)21(11-16)28-5)24(25(3)14-26)19(17)13-22(23)29-6/h8,10-15,18,24H,7,9H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide?
N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide has a molecular weight of 413.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-7-methoxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylformamide is sourced from PubChem (CID 21122168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).