N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C29H34N2O4 — CID 59597397

IUPACN-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3ccc(OC)cc32)c(OC)c1
InChIInChI=1S/C29H34N2O4/c1-30(2)22-12-9-20(10-13-22)19-31(27-16-15-24(34-4)18-28(27)35-5)29(32)25-8-6-7-21-11-14-23(33-3)17-26(21)25/h9-18,25H,6-8,19H2,1-5H3
InChIKeyWFKWYAVXTZCJNR-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.43
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597397) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597397
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC NameN-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3ccc(OC)cc32)c(OC)c1
InChIInChI=1S/C29H34N2O4/c1-30(2)22-12-9-20(10-13-22)19-31(27-16-15-24(34-4)18-28(27)35-5)29(32)25-8-6-7-21-11-14-23(33-3)17-26(21)25/h9-18,25H,6-8,19H2,1-5H3
InChIKeyWFKWYAVXTZCJNR-UHFFFAOYSA-N
XLogP5.43
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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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-(4-acetylphenyl)-7-methoxy-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597321
7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597184
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10204678
7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 167768521
N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10182818
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 70741338
N-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10136763
N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845751
2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 11590963

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597397) is N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3ccc(OC)cc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is WFKWYAVXTZCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-30(2)22-12-9-20(10-13-22)19-31(27-16-15-24(34-4)18-28(27)35-5)29(32)25-8-6-7-21-11-14-23(33-3)17-26(21)25/h9-18,25H,6-8,19H2,1-5H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).