N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide

C16H18N2O3 — CID 143253125

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C(N)=O)cc(O)c2ccccc12
InChIInChI=1S/C16H18N2O3/c1-9-10-6-4-5-7-11(10)13(19)8-12(9)14(20)18-16(2,3)15(17)21/h4-8,19H,1-3H3,(H2,17,21)(H,18,20)
InChIKeyVDXUWMPFFLXLTP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.85
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide (PubChem CID 143253125) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide
PubChem CID143253125
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C(N)=O)cc(O)c2ccccc12
InChIInChI=1S/C16H18N2O3/c1-9-10-6-4-5-7-11(10)13(19)8-12(9)14(20)18-16(2,3)15(17)21/h4-8,19H,1-3H3,(H2,17,21)(H,18,20)
InChIKeyVDXUWMPFFLXLTP-UHFFFAOYSA-N
XLogP1.85
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
CID 61212389
3,4-dimethylnaphthalen-1-ol
CID 15915434
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 61121224
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547692
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[(2-phenylacetyl)amino]benzamide
CID 164571646
N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide
CID 107672433
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide (CID 143253125) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide is Cc1c(C(=O)NC(C)(C)C(N)=O)cc(O)c2ccccc12.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide?
The InChIKey is VDXUWMPFFLXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-10-6-4-5-7-11(10)13(19)8-12(9)14(20)18-16(2,3)15(17)21/h4-8,19H,1-3H3,(H2,17,21)(H,18,20).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 143253125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).