4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride

C17H23ClN2O2 — CID 120559869

IUPAC4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
SMILESCOc1ccc2ccccc2c1CNC(=O)CCC(C)N.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-12(18)7-10-17(20)19-11-15-14-6-4-3-5-13(14)8-9-16(15)21-2;/h3-6,8-9,12H,7,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyOJVDNJFLRDPQNM-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.01
Rot. Bonds6

About 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride

4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride (PubChem CID 120559869) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
PubChem CID120559869
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
SMILESCOc1ccc2ccccc2c1CNC(=O)CCC(C)N.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-12(18)7-10-17(20)19-11-15-14-6-4-3-5-13(14)8-9-16(15)21-2;/h3-6,8-9,12H,7,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyOJVDNJFLRDPQNM-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
4-amino-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 120562266
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
CID 115156719
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
4-amino-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]pentanamide
CID 120560553
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride (CID 120559869) is 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride is COc1ccc2ccccc2c1CNC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride?
The InChIKey is OJVDNJFLRDPQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-12(18)7-10-17(20)19-11-15-14-6-4-3-5-13(14)8-9-16(15)21-2;/h3-6,8-9,12H,7,10-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride?
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).