N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride

C17H31Cl2N3O — CID 119399175

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)CCCNC)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-4-20(5-2)16(15-10-7-6-8-11-15)14-19-17(21)12-9-13-18-3;;/h6-8,10-11,16,18H,4-5,9,12-14H2,1-3H3,(H,19,21);2*1H
InChIKeyYAGSZXCDNYDRBY-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.03
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119399175) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119399175
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)CCCNC)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-4-20(5-2)16(15-10-7-6-8-11-15)14-19-17(21)12-9-13-18-3;;/h6-8,10-11,16,18H,4-5,9,12-14H2,1-3H3,(H,19,21);2*1H
InChIKeyYAGSZXCDNYDRBY-UHFFFAOYSA-N
XLogP3.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
CID 119821967
4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
CID 120586284
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110622036
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119889365
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride (CID 119399175) is N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride is CCN(CC)C(CNC(=O)CCCNC)c1ccccc1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is YAGSZXCDNYDRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-4-20(5-2)16(15-10-7-6-8-11-15)14-19-17(21)12-9-13-18-3;;/h6-8,10-11,16,18H,4-5,9,12-14H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119399175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).