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

C15H25ClN2O2 — CID 120589443

IUPAC4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCCN(CCc1ccccc1)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-17(15(18)11-14(12-16)19-2)10-9-13-7-5-4-6-8-13;/h4-8,14H,3,9-12,16H2,1-2H3;1H
InChIKeyVDVANYRXDJFSAT-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.86
Rot. Bonds8

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

4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride (PubChem CID 120589443) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
PubChem CID120589443
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCCN(CCc1ccccc1)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-17(15(18)11-14(12-16)19-2)10-9-13-7-5-4-6-8-13;/h4-8,14H,3,9-12,16H2,1-2H3;1H
InChIKeyVDVANYRXDJFSAT-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.86
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-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120590469
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide
CID 66432918
4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 120593580
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide
CID 75807602
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride (CID 120589443) is 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride is CCN(CCc1ccccc1)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
The InChIKey is VDVANYRXDJFSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-3-17(15(18)11-14(12-16)19-2)10-9-13-7-5-4-6-8-13;/h4-8,14H,3,9-12,16H2,1-2H3;1H.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120589443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).