(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride

C15H19ClN2O2 — CID 119276428

IUPAC(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
SMILESCOc1ccc2cc(CNC(=O)[C@H](C)N)ccc2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10(16)15(18)17-9-11-3-4-13-8-14(19-2)6-5-12(13)7-11;/h3-8,10H,9,16H2,1-2H3,(H,17,18);1H/t10-;/m0./s1
InChIKeyBUKZKRQNEISNSC-PPHPATTJSA-N
MW294.78 g/mol
LogP2.23
Rot. Bonds4

About (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride (PubChem CID 119276428) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
PubChem CID119276428
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
SMILESCOc1ccc2cc(CNC(=O)[C@H](C)N)ccc2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10(16)15(18)17-9-11-3-4-13-8-14(19-2)6-5-12(13)7-11;/h3-8,10H,9,16H2,1-2H3,(H,17,18);1H/t10-;/m0./s1
InChIKeyBUKZKRQNEISNSC-PPHPATTJSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
4-bromo-N-[(2S)-1-[(6-methoxynaphthalen-2-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 41286103
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride (CID 119276428) is (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride is COc1ccc2cc(CNC(=O)[C@H](C)N)ccc2c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is BUKZKRQNEISNSC-PPHPATTJSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-10(16)15(18)17-9-11-3-4-13-8-14(19-2)6-5-12(13)7-11;/h3-8,10H,9,16H2,1-2H3,(H,17,18);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119276428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).