N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide

C28H29N3O3 — CID 66526190

IUPACN-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2CNCCCOc2ccccn2)cc1
InChIInChI=1S/C28H29N3O3/c1-21-10-13-23(14-11-21)31-27(32)20-34-26-15-12-22-7-2-3-8-24(22)25(26)19-29-16-6-18-33-28-9-4-5-17-30-28/h2-5,7-15,17,29H,6,16,18-20H2,1H3,(H,31,32)
InChIKeyRNYNYONILWZCRA-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.12
Rot. Bonds11

About N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide

N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 66526190) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
PubChem CID66526190
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2CNCCCOc2ccccn2)cc1
InChIInChI=1S/C28H29N3O3/c1-21-10-13-23(14-11-21)31-27(32)20-34-26-15-12-22-7-2-3-8-24(22)25(26)19-29-16-6-18-33-28-9-4-5-17-30-28/h2-5,7-15,17,29H,6,16,18-20H2,1H3,(H,31,32)
InChIKeyRNYNYONILWZCRA-UHFFFAOYSA-N
XLogP5.12
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66526372
N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526225
2-[5-chloro-2-methoxy-4-[(3-pyridin-2-yloxypropylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66530324
2-[2-chloro-6-methoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66525885
N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide
CID 66539148
4-methyl-3-[[2-[2-(4-methylanilino)-2-oxoethoxy]naphthalen-1-yl]methylamino]benzoic acid
CID 66539065
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053659
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053595
3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide (CID 66526190) is N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide is Cc1ccc(NC(=O)COc2ccc3ccccc3c2CNCCCOc2ccccn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is RNYNYONILWZCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-21-10-13-23(14-11-21)31-27(32)20-34-26-15-12-22-7-2-3-8-24(22)25(26)19-29-16-6-18-33-28-9-4-5-17-30-28/h2-5,7-15,17,29H,6,16,18-20H2,1H3,(H,31,32).
What are the key properties of N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 455.56 g/mol, XLogP of 5.12, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 66526190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).