4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride

C17H31Cl2N3O2 — CID 120586284

IUPAC4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)CC(CN)OC)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-4-20(5-2)16(14-9-7-6-8-10-14)13-19-17(21)11-15(12-18)22-3;;/h6-10,15-16H,4-5,11-13,18H2,1-3H3,(H,19,21);2*1H
InChIKeyAYHJVJCHUMJZPT-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.39
Rot. Bonds10

About 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride

4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120586284) has the molecular formula C17H31Cl2N3O2 and a molecular weight of 380.36 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120586284
Molecular FormulaC17H31Cl2N3O2
Molecular Weight380.36 g/mol
Exact Mass379.18
IUPAC Name4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)CC(CN)OC)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-4-20(5-2)16(14-9-7-6-8-10-14)13-19-17(21)11-15(12-18)22-3;;/h6-10,15-16H,4-5,11-13,18H2,1-3H3,(H,19,21);2*1H
InChIKeyAYHJVJCHUMJZPT-UHFFFAOYSA-N
XLogP2.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
4-amino-3-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 120595532
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
N-[2-(diethylamino)-2-phenylethyl]-2-(2-methylphenoxy)acetamide
CID 18167114

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride (CID 120586284) is 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride is CCN(CC)C(CNC(=O)CC(CN)OC)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is AYHJVJCHUMJZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.2ClH/c1-4-20(5-2)16(14-9-7-6-8-10-14)13-19-17(21)11-15(12-18)22-3;;/h6-10,15-16H,4-5,11-13,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120586284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).