N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide

C34H40N2O — CID 141010175

IUPACN-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
SMILESCCC1CCCCCCN1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3CC2)cc1
InChIInChI=1S/C34H40N2O/c1-3-33-8-6-4-5-7-21-36(33)24-26-11-19-32(20-12-26)35-34(37)30-18-16-28-15-17-29(22-31(28)23-30)27-13-9-25(2)10-14-27/h9-15,17,19-20,22-23,33H,3-8,16,18,21,24H2,1-2H3,(H,35,37)
InChIKeyDHDDRRQLCXIONW-UHFFFAOYSA-N
MW492.71 g/mol
LogP8.18
Rot. Bonds6

About N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide

N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 141010175) has the molecular formula C34H40N2O and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
PubChem CID141010175
Molecular FormulaC34H40N2O
Molecular Weight492.71 g/mol
Exact Mass492.31
IUPAC NameN-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
SMILESCCC1CCCCCCN1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3CC2)cc1
InChIInChI=1S/C34H40N2O/c1-3-33-8-6-4-5-7-21-36(33)24-26-11-19-32(20-12-26)35-34(37)30-18-16-28-15-17-29(22-31(28)23-30)27-13-9-25(2)10-14-27/h9-15,17,19-20,22-23,33H,3-8,16,18,21,24H2,1-2H3,(H,35,37)
InChIKeyDHDDRRQLCXIONW-UHFFFAOYSA-N
XLogP8.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-methylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472546
7-(4-methylphenyl)-N-[4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propyl]phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 70283006
N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide
CID 10788468
(5E)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-3-(4-methylphenyl)-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxamide
CID 142820571
7-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472597
[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl-tripropylazanium chloride
CID 18472230
5-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-1H-indene-2-carboxamide
CID 18472418
7-phenyl-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472667
[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]-tripropylazanium chloride
CID 69353759
N-[4-(hydroxymethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide
CID 18472639
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
[5-[[4-[(2-ethylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 11353251

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide (CID 141010175) is N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide is CCC1CCCCCCN1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3CC2)cc1.
What is the InChIKey of N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is DHDDRRQLCXIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O/c1-3-33-8-6-4-5-7-21-36(33)24-26-11-19-32(20-12-26)35-34(37)30-18-16-28-15-17-29(22-31(28)23-30)27-13-9-25(2)10-14-27/h9-15,17,19-20,22-23,33H,3-8,16,18,21,24H2,1-2H3,(H,35,37).
What are the key properties of N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide?
N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 492.71 g/mol, XLogP of 8.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 141010175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).