N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride

C19H25ClN2O4 — CID 119419096

IUPACN-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)Nc2ccc(OC)c(N)c2)cc1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-3-24-15-7-9-16(10-8-15)25-12-4-5-19(22)21-14-6-11-18(23-2)17(20)13-14;/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22);1H
InChIKeyROUMMGXYZQYGRY-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.90
Rot. Bonds9

About N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride (PubChem CID 119419096) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
PubChem CID119419096
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)Nc2ccc(OC)c(N)c2)cc1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-3-24-15-7-9-16(10-8-15)25-12-4-5-19(22)21-14-6-11-18(23-2)17(20)13-14;/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22);1H
InChIKeyROUMMGXYZQYGRY-UHFFFAOYSA-N
XLogP3.90
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
CID 119419203
N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride (CID 119419096) is N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride is CCOc1ccc(OCCCC(=O)Nc2ccc(OC)c(N)c2)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride?
The InChIKey is ROUMMGXYZQYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.ClH/c1-3-24-15-7-9-16(10-8-15)25-12-4-5-19(22)21-14-6-11-18(23-2)17(20)13-14;/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119419096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).