2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide

C30H36N2O3 — CID 11590963

IUPAC2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCOc1ccc2c(n1)C(C(=O)N(Cc1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1)CCC2
InChIInChI=1S/C30H36N2O3/c1-20(2)23-11-14-25(15-12-23)32(19-22-9-16-26(17-10-22)35-21(3)4)30(33)27-8-6-7-24-13-18-28(34-5)31-29(24)27/h9-18,20-21,27H,6-8,19H2,1-5H3
InChIKeyGQIWTWFURIDBBU-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.65
Rot. Bonds8

About 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide

2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 11590963) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID11590963
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCOc1ccc2c(n1)C(C(=O)N(Cc1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1)CCC2
InChIInChI=1S/C30H36N2O3/c1-20(2)23-11-14-25(15-12-23)32(19-22-9-16-26(17-10-22)35-21(3)4)30(33)27-8-6-7-24-13-18-28(34-5)31-29(24)27/h9-18,20-21,27H,6-8,19H2,1-5H3
InChIKeyGQIWTWFURIDBBU-UHFFFAOYSA-N
XLogP6.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 11690814
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
7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597184
N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10162195
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10204678
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
N-(4-acetylphenyl)-7-methoxy-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597321
N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10182818
7-methoxy-N-[3-(4-methoxyphenyl)propyl]-N-(4-propan-2-ylphenyl)-2,3,4,7-tetrahydro-1H-benzo[7]annulene-4-carboxamide
CID 142124478
5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597244

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 11590963) is 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide is COc1ccc2c(n1)C(C(=O)N(Cc1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1)CCC2.
What is the InChIKey of 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is GQIWTWFURIDBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-20(2)23-11-14-25(15-12-23)32(19-22-9-16-26(17-10-22)35-21(3)4)30(33)27-8-6-7-24-13-18-28(34-5)31-29(24)27/h9-18,20-21,27H,6-8,19H2,1-5H3.
What are the key properties of 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide?
2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 11590963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).