N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C32H40N2O — CID 10162195

IUPACN-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3ccc(C(C)C)cc32)cc1
InChIInChI=1S/C32H40N2O/c1-22(2)25-14-18-29(19-15-25)34(21-24-10-16-28(17-11-24)33(5)6)32(35)30-9-7-8-26-12-13-27(23(3)4)20-31(26)30/h10-20,22-23,30H,7-9,21H2,1-6H3
InChIKeyYAJLACXZIQAQDQ-UHFFFAOYSA-N
MW468.69 g/mol
LogP7.65
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10162195) has the molecular formula C32H40N2O and a molecular weight of 468.69 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10162195
Molecular FormulaC32H40N2O
Molecular Weight468.69 g/mol
Exact Mass468.31
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3ccc(C(C)C)cc32)cc1
InChIInChI=1S/C32H40N2O/c1-22(2)25-14-18-29(19-15-25)34(21-24-10-16-28(17-11-24)33(5)6)32(35)30-9-7-8-26-12-13-27(23(3)4)20-31(26)30/h10-20,22-23,30H,7-9,21H2,1-6H3
InChIKeyYAJLACXZIQAQDQ-UHFFFAOYSA-N
XLogP7.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.69
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10162195) is N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCCc3ccc(C(C)C)cc32)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is YAJLACXZIQAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O/c1-22(2)25-14-18-29(19-15-25)34(21-24-10-16-28(17-11-24)33(5)6)32(35)30-9-7-8-26-12-13-27(23(3)4)20-31(26)30/h10-20,22-23,30H,7-9,21H2,1-6H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 468.69 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10162195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).