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

C19H25ClN2O2 — CID 119547903

IUPACN-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(17-5-3-4-6-18(17)23-2)13-19(22)21-12-11-15-7-9-16(20)10-8-15;/h3-10,14H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyWCBIBRSJEKECKS-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.55
Rot. Bonds7

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

N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119547903) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
PubChem CID119547903
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14(17-5-3-4-6-18(17)23-2)13-19(22)21-12-11-15-7-9-16(20)10-8-15;/h3-10,14H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyWCBIBRSJEKECKS-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245970
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride (CID 119547903) is N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride is COc1ccccc1C(C)CC(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is WCBIBRSJEKECKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14(17-5-3-4-6-18(17)23-2)13-19(22)21-12-11-15-7-9-16(20)10-8-15;/h3-10,14H,11-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.55, 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]-3-(2-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119547903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).