N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride

C20H27ClN2O3 — CID 119419203

IUPACN-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCCCOc2cc(C)ccc2C)cc1N.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14-7-8-15(2)19(12-14)25-11-5-4-6-20(23)22-16-9-10-18(24-3)17(21)13-16;/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23);1H
InChIKeyINHQYRZHUZSHIZ-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.50
Rot. Bonds8

About N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride (PubChem CID 119419203) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
PubChem CID119419203
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCCCOc2cc(C)ccc2C)cc1N.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14-7-8-15(2)19(12-14)25-11-5-4-6-20(23)22-16-9-10-18(24-3)17(21)13-16;/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23);1H
InChIKeyINHQYRZHUZSHIZ-UHFFFAOYSA-N
XLogP4.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride (CID 119419203) is N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride is COc1ccc(NC(=O)CCCCOc2cc(C)ccc2C)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride?
The InChIKey is INHQYRZHUZSHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-14-7-8-15(2)19(12-14)25-11-5-4-6-20(23)22-16-9-10-18(24-3)17(21)13-16;/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride is sourced from PubChem (CID 119419203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).