7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C31H37NO5 — CID 59597184

IUPAC7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C(C)C)cc1)CCC2
InChIInChI=1S/C31H37NO5/c1-20(2)22-10-13-24(14-11-22)32(19-21-16-28(35-4)30(37-6)29(17-21)36-5)31(33)26-9-7-8-23-12-15-25(34-3)18-27(23)26/h10-18,20,26H,7-9,19H2,1-6H3
InChIKeyJTKIOBSRPUQUHW-UHFFFAOYSA-N
MW503.64 g/mol
LogP6.50
Rot. Bonds9

About 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597184) has the molecular formula C31H37NO5 and a molecular weight of 503.64 g/mol. Its IUPAC name is 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597184
Molecular FormulaC31H37NO5
Molecular Weight503.64 g/mol
Exact Mass503.27
IUPAC Name7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C(C)C)cc1)CCC2
InChIInChI=1S/C31H37NO5/c1-20(2)22-10-13-24(14-11-22)32(19-21-16-28(35-4)30(37-6)29(17-21)36-5)31(33)26-9-7-8-23-12-15-25(34-3)18-27(23)26/h10-18,20,26H,7-9,19H2,1-6H3
InChIKeyJTKIOBSRPUQUHW-UHFFFAOYSA-N
XLogP6.50
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 5311121
(1S)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;ethanol;dihydrochloride
CID 67184573
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10204678
N-(4-acetylphenyl)-7-methoxy-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597321
N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597397
N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10182818
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
N-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10136763
2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 11590963
7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 167768521
5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597244
N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124436

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597184) is 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc2c(c1)C(C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C(C)C)cc1)CCC2.
What is the InChIKey of 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is JTKIOBSRPUQUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO5/c1-20(2)22-10-13-24(14-11-22)32(19-21-16-28(35-4)30(37-6)29(17-21)36-5)31(33)26-9-7-8-23-12-15-25(34-3)18-27(23)26/h10-18,20,26H,7-9,19H2,1-6H3.
What are the key properties of 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 503.64 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).