5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate

C28H26N2O4 — CID 161447927

IUPAC5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Nc1cccc2c(OC(=O)C(=C)C)cccc12.Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H17NO3.C10H9NO/c1-11(2)17(20)19-15-9-5-8-14-13(15)7-6-10-16(14)22-18(21)12(3)4;11-9-5-1-4-8-7(9)3-2-6-10(8)12/h5-10H,1,3H2,2,4H3,(H,19,20);1-6,12H,11H2
InChIKeyWADJLKIWLUYMDY-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.96
Rot. Bonds4

About 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate

5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate (PubChem CID 161447927) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate
PubChem CID161447927
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Nc1cccc2c(OC(=O)C(=C)C)cccc12.Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H17NO3.C10H9NO/c1-11(2)17(20)19-15-9-5-8-14-13(15)7-6-10-16(14)22-18(21)12(3)4;11-9-5-1-4-8-7(9)3-2-6-10(8)12/h5-10H,1,3H2,2,4H3,(H,19,20);1-6,12H,11H2
InChIKeyWADJLKIWLUYMDY-UHFFFAOYSA-N
XLogP5.96
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate 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

(5-hydroxynaphthalen-1-yl) 2-methylprop-2-eneperoxoate
CID 87079463
N-(5,8-dihydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524620
[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
CID 140585854
(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
CID 59524605
N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 163702542
N-(2-aminophenyl)-2-methylprop-2-enamide;propane
CID 118948381
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593
4-ethenylphenol;(4-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;(4-hydroxyphenyl) 2-methylprop-2-enoate
CID 161368719
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[5-(4-methyl-N-[5-(2-methylprop-2-enoyloxy)naphthalen-1-yl]anilino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 58520062

Frequently Asked Questions

What is the IUPAC name of 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate?
The IUPAC name of 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate (CID 161447927) is 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Nc1cccc2c(OC(=O)C(=C)C)cccc12.Nc1cccc2c(O)cccc12.
What is the InChIKey of 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate?
The InChIKey is WADJLKIWLUYMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3.C10H9NO/c1-11(2)17(20)19-15-9-5-8-14-13(15)7-6-10-16(14)22-18(21)12(3)4;11-9-5-1-4-8-7(9)3-2-6-10(8)12/h5-10H,1,3H2,2,4H3,(H,19,20);1-6,12H,11H2.
What are the key properties of 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate?
5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate has a molecular weight of 454.53 g/mol, XLogP of 5.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 161447927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).