N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide

C30H30N2O4 — CID 11799000

IUPACN-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide
SMILESCN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1
InChIInChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3
InChIKeyJABBZJUXSMUGQL-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.12
Rot. Bonds9

About N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide

N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide (PubChem CID 11799000) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide
PubChem CID11799000
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC NameN-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide
SMILESCN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1
InChIInChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3
InChIKeyJABBZJUXSMUGQL-UHFFFAOYSA-N
XLogP5.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

RG 14893
CID 132379
2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
(2E,4E)-5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]penta-2,4-dienoic acid
CID 10839275
(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid
CID 10839343
3-[2-({[3-Methyl-1-(1-naphthyl)butyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017224
3-[2-({[(1R)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
CID 46201043
N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
CID 167238165
Mnbzohwpikxasf-uhfffaoysa-
CID 10593844
Sicdvfqigzixso-uhfffaoysa-
CID 10759138

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide (CID 11799000) is N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide is CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1.
What is the InChIKey of N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide?
The InChIKey is JABBZJUXSMUGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-31(17-16-22-10-5-3-6-11-22)29(33)20-24-18-25(30(34)32(2)35)19-27-26(24)14-9-15-28(27)36-21-23-12-7-4-8-13-23/h3-15,18-19,35H,16-17,20-21H2,1-2H3.
What are the key properties of N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide?
N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 11799000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).