2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride

C17H23ClN2O2 — CID 3014281

IUPAC2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
SMILESCOc1cc(NC(=O)C(N)CC(C)C)cc2ccccc12.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3;/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20);1H
InChIKeyNECOEODWTUWPBP-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.58
Rot. Bonds5

About 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride

2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride (PubChem CID 3014281) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
PubChem CID3014281
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
SMILESCOc1cc(NC(=O)C(N)CC(C)C)cc2ccccc12.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3;/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20);1H
InChIKeyNECOEODWTUWPBP-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-4-[(4-methoxynaphthalen-2-yl)amino]-4-oxobutanoic acid
CID 7021432
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide
CID 18603775
(2S)-2,6-diamino-N-[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 71771494
2,6-diamino-N-[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 171326285
2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
CID 4060966
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
CID 7020107
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
[4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentyl]-(diaminomethylidene)azanium
CID 176516516
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
CID 21198770
[(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium
CID 86308285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride (CID 3014281) is 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride is COc1cc(NC(=O)C(N)CC(C)C)cc2ccccc12.Cl.
What is the InChIKey of 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride?
The InChIKey is NECOEODWTUWPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3;/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride?
2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 3014281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).