N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride

C30H40ClN3O — CID 54601257

IUPACN-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride
SMILESCCN(CC)CCN(C)CC(c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C30H39N3O.ClH/c1-5-33(6-2)23-22-31(3)24-28(25-16-10-7-11-17-25)32(4)30(34)29(26-18-12-8-13-19-26)27-20-14-9-15-21-27;/h7-21,28-29H,5-6,22-24H2,1-4H3;1H
InChIKeyAZAWDKLYMAPSGL-UHFFFAOYSA-N
MW494.12 g/mol
LogP5.71
Rot. Bonds12

About N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride

N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride (PubChem CID 54601257) has the molecular formula C30H40ClN3O and a molecular weight of 494.12 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride
PubChem CID54601257
Molecular FormulaC30H40ClN3O
Molecular Weight494.12 g/mol
Exact Mass493.29
IUPAC NameN-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride
SMILESCCN(CC)CCN(C)CC(c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C30H39N3O.ClH/c1-5-33(6-2)23-22-31(3)24-28(25-16-10-7-11-17-25)32(4)30(34)29(26-18-12-8-13-19-26)27-20-14-9-15-21-27;/h7-21,28-29H,5-6,22-24H2,1-4H3;1H
InChIKeyAZAWDKLYMAPSGL-UHFFFAOYSA-N
XLogP5.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.12
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
CID 92573379
N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
2,2-diphenyl-N-propylacetohydrazide;hydrochloride
CID 139747660
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
2-[2-(diethylamino)ethyl]-3-phenylbutanedioic acid;hydrochloride
CID 117067436
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
CID 91054783
6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
CID 57339628

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride?
The IUPAC name of N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride (CID 54601257) is N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride is CCN(CC)CCN(C)CC(c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride?
The InChIKey is AZAWDKLYMAPSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O.ClH/c1-5-33(6-2)23-22-31(3)24-28(25-16-10-7-11-17-25)32(4)30(34)29(26-18-12-8-13-19-26)27-20-14-9-15-21-27;/h7-21,28-29H,5-6,22-24H2,1-4H3;1H.
What are the key properties of N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride?
N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride has a molecular weight of 494.12 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride is sourced from PubChem (CID 54601257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).