N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride

C19H25ClN2O2 — CID 119549172

IUPACN-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-18(23-17-6-4-5-14(2)13-17)19(22)21-12-11-15-7-9-16(20)10-8-15;/h4-10,13,18H,3,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyVWZODGGMBLVWNS-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride (PubChem CID 119549172) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
PubChem CID119549172
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-18(23-17-6-4-5-14(2)13-17)19(22)21-12-11-15-7-9-16(20)10-8-15;/h4-10,13,18H,3,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyVWZODGGMBLVWNS-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
CID 119547439
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 120652172
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride (CID 119549172) is N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride is CCC(Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
The InChIKey is VWZODGGMBLVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-3-18(23-17-6-4-5-14(2)13-17)19(22)21-12-11-15-7-9-16(20)10-8-15;/h4-10,13,18H,3,11-12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119549172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).