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

C30H39N3O — CID 92573379

IUPACN-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
SMILESCCN(CC)CCN(C)C[C@H](c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39N3O/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/t28-/m1/s1
InChIKeyRHCISBUYYSVZOY-MUUNZHRXSA-N
MW457.66 g/mol
LogP5.29
Rot. Bonds12

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

N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 92573379) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
PubChem CID92573379
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
SMILESCCN(CC)CCN(C)C[C@H](c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39N3O/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/t28-/m1/s1
InChIKeyRHCISBUYYSVZOY-MUUNZHRXSA-N
XLogP5.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride
CID 54601257
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-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
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
2,2-diphenyl-N-propylacetohydrazide;hydrochloride
CID 139747660
6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
CID 57339628
2-[2-(diethylamino)ethyl]-3-phenylbutanedioic acid;hydrochloride
CID 117067436

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide (CID 92573379) is N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide is CCN(CC)CCN(C)C[C@H](c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is RHCISBUYYSVZOY-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H39N3O/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/t28-/m1/s1.
What are the key properties of N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide?
N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 457.66 g/mol, XLogP of 5.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[2-(diethylamino)ethyl-methylamino]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 92573379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).