N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide

C31H36N2O2 — CID 143836367

IUPACN-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
SMILESCCN(CC)CCOc1cccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3CCC2)c1
InChIInChI=1S/C31H36N2O2/c1-4-33(5-2)18-19-35-30-11-7-10-29(22-30)32-31(34)27-9-6-8-24-16-17-26(20-28(24)21-27)25-14-12-23(3)13-15-25/h7,10-17,20-22H,4-6,8-9,18-19H2,1-3H3,(H,32,34)
InChIKeyLXOKBBNAEYVIEP-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.74
Rot. Bonds9

About N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide

N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide (PubChem CID 143836367) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
PubChem CID143836367
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC NameN-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
SMILESCCN(CC)CCOc1cccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3CCC2)c1
InChIInChI=1S/C31H36N2O2/c1-4-33(5-2)18-19-35-30-11-7-10-29(22-30)32-31(34)27-9-6-8-24-16-17-26(20-28(24)21-27)25-14-12-23(3)13-15-25/h7,10-17,20-22H,4-6,8-9,18-19H2,1-3H3,(H,32,34)
InChIKeyLXOKBBNAEYVIEP-UHFFFAOYSA-N
XLogP6.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide with MolForge

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Related Compounds

3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
CID 143836383
7-(4-methylphenyl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 143836364
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
7-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472597
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
N-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 18472529
N-[3-[2-(diethylamino)ethoxy]-5-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86302829
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-methylphenoxy)propanamide
CID 8921028
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl-tripropylazanium chloride
CID 18472230
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
benzhydryl 4-[6-[[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]carbamoyl]-8,9-dihydro-7H-benzo[7]annulen-3-yl]benzoate
CID 22616367

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide (CID 143836367) is N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide is CCN(CC)CCOc1cccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3CCC2)c1.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
The InChIKey is LXOKBBNAEYVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-4-33(5-2)18-19-35-30-11-7-10-29(22-30)32-31(34)27-9-6-8-24-16-17-26(20-28(24)21-27)25-14-12-23(3)13-15-25/h7,10-17,20-22H,4-6,8-9,18-19H2,1-3H3,(H,32,34).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 6.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide is sourced from PubChem (CID 143836367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).