N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide

C23H30N2O2 — CID 11187726

IUPACN-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C)CCc3cccc(OC)c3C2)cc1
InChIInChI=1S/C23H30N2O2/c1-5-25(6-2)19-12-10-18(11-13-19)24-22(26)23(3)15-14-17-8-7-9-21(27-4)20(17)16-23/h7-13H,5-6,14-16H2,1-4H3,(H,24,26)
InChIKeyJZTSBKMDBFJSAS-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.68
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide

N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 11187726) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID11187726
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C)CCc3cccc(OC)c3C2)cc1
InChIInChI=1S/C23H30N2O2/c1-5-25(6-2)19-12-10-18(11-13-19)24-22(26)23(3)15-14-17-8-7-9-21(27-4)20(17)16-23/h7-13H,5-6,14-16H2,1-4H3,(H,24,26)
InChIKeyJZTSBKMDBFJSAS-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

W54011
CID 5311122
5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10574209
5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10645098
5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10716365
5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10740968
5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10763158
5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10812885
5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 11797259
3-[3-(dimethylamino)propyl]-N-[4-(4-formyl-2-methylphenyl)phenyl]-4-methoxybenzamide
CID 10094227
5-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-1,3-dihydro-indol-2-one
CID 10761290
6-methoxy-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10938620
2-methylpropyl N-[2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-yl]-N-methylcarbamate
CID 11225687

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 11187726) is N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide is CCN(CC)c1ccc(NC(=O)C2(C)CCc3cccc(OC)c3C2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is JZTSBKMDBFJSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-25(6-2)19-12-10-18(11-13-19)24-22(26)23(3)15-14-17-8-7-9-21(27-4)20(17)16-23/h7-13H,5-6,14-16H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-8-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 11187726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).