N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide

C28H28N2O2 — CID 10788468

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1
InChIInChI=1S/C28H28N2O2/c31-28(29-27-12-6-21(7-13-27)20-30-14-16-32-17-15-30)25-11-9-23-8-10-24(18-26(23)19-25)22-4-2-1-3-5-22/h1-8,10,12-13,18-19H,9,11,14-17,20H2,(H,29,31)
InChIKeyFJISEIVVTMZFDP-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.15
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 10788468) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide
PubChem CID10788468
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1
InChIInChI=1S/C28H28N2O2/c31-28(29-27-12-6-21(7-13-27)20-30-14-16-32-17-15-30)25-11-9-23-8-10-24(18-26(23)19-25)22-4-2-1-3-5-22/h1-8,10,12-13,18-19H,9,11,14-17,20H2,(H,29,31)
InChIKeyFJISEIVVTMZFDP-UHFFFAOYSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472597
7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 10765394
7-(4-methylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472546
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]methyl-tripropylazanium chloride
CID 18472230
N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride
CID 162221982
N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide iodide
CID 10650855
N-[6-(morpholin-4-ylmethyl)-7,8-dihydronaphthalen-2-yl]-2-(4-phenylphenyl)acetamide
CID 139903241
N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
CID 141010175
(5E)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-3-(4-methylphenyl)-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxamide
CID 142820571
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide (CID 10788468) is N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is FJISEIVVTMZFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c31-28(29-27-12-6-21(7-13-27)20-30-14-16-32-17-15-30)25-11-9-23-8-10-24(18-26(23)19-25)22-4-2-1-3-5-22/h1-8,10,12-13,18-19H,9,11,14-17,20H2,(H,29,31).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 10788468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).