N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride

C17H23ClN2O2 — CID 120507302

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
SMILESCOc1ccc2cc(C(C)C(=O)N[C@@H](C)CN)ccc2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-11(10-18)19-17(20)12(2)13-4-5-15-9-16(21-3)7-6-14(15)8-13;/h4-9,11-12H,10,18H2,1-3H3,(H,19,20);1H/t11-,12?;/m0./s1
InChIKeyRZGVLHXGQBHMQX-YLIVSKOQSA-N
MW322.84 g/mol
LogP2.84
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride (PubChem CID 120507302) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
PubChem CID120507302
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
SMILESCOc1ccc2cc(C(C)C(=O)N[C@@H](C)CN)ccc2c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-11(10-18)19-17(20)12(2)13-4-5-15-9-16(21-3)7-6-14(15)8-13;/h4-9,11-12H,10,18H2,1-3H3,(H,19,20);1H/t11-,12?;/m0./s1
InChIKeyRZGVLHXGQBHMQX-YLIVSKOQSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
CID 14178708
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
butyl (2S)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]propanoate
CID 118859513
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride (CID 120507302) is N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride is COc1ccc2cc(C(C)C(=O)N[C@@H](C)CN)ccc2c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride?
The InChIKey is RZGVLHXGQBHMQX-YLIVSKOQSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-11(10-18)19-17(20)12(2)13-4-5-15-9-16(21-3)7-6-14(15)8-13;/h4-9,11-12H,10,18H2,1-3H3,(H,19,20);1H/t11-,12?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120507302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).