N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride

C15H19ClN2O2 — CID 57402950

IUPACN-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride
SMILESCOc1ccc2cc(N)cc(CCNC(C)=O)c2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12;/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18);1H
InChIKeyBIECOOKWJRQSDT-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride

N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride (PubChem CID 57402950) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride
PubChem CID57402950
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride
SMILESCOc1ccc2cc(N)cc(CCNC(C)=O)c2c1.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12;/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18);1H
InChIKeyBIECOOKWJRQSDT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Agomelatine
CID 82148
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
S24773
CID 22133318
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
n-[2-(3-Ethyl-7-methoxynaphthyl) ethyl]-acetamide
CID 10468427
N-[2-(7-methoxy-3-propylnaphthalen-1-yl)ethyl]acetamide
CID 23360808
N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25113813
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163
2-fluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 57381111
N-[2-(3-ethenyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 57381548

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride (CID 57402950) is N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride is COc1ccc2cc(N)cc(CCNC(C)=O)c2c1.Cl.
What is the InChIKey of N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride?
The InChIKey is BIECOOKWJRQSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-10(18)17-6-5-12-8-13(16)7-11-3-4-14(19-2)9-15(11)12;/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride?
N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 57402950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).