4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride

C19H25ClN2O2 — CID 120590469

IUPAC4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(CCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-23-18(15-20)14-19(22)21(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16;/h2-11,18H,12-15,20H2,1H3;1H
InChIKeyRYOHIOXEDXEHBI-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.05
Rot. Bonds8

About 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride

4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride (PubChem CID 120590469) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
PubChem CID120590469
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(CCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-23-18(15-20)14-19(22)21(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16;/h2-11,18H,12-15,20H2,1H3;1H
InChIKeyRYOHIOXEDXEHBI-UHFFFAOYSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 120593580
2-(2-methoxyethylamino)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753328
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride (CID 120590469) is 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride is COC(CN)CC(=O)N(CCc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride?
The InChIKey is RYOHIOXEDXEHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-23-18(15-20)14-19(22)21(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16;/h2-11,18H,12-15,20H2,1H3;1H.
What are the key properties of 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120590469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).