N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide

C21H28N2O2 — CID 71880422

IUPACN-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-15-23(17-16-22(2)3)21(24)20(18-11-7-5-8-12-18)25-19-13-9-6-10-14-19/h5-14,20H,4,15-17H2,1-3H3
InChIKeyZHNYMKAZPNFNDJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.61
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide

N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide (PubChem CID 71880422) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide
PubChem CID71880422
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-15-23(17-16-22(2)3)21(24)20(18-11-7-5-8-12-18)25-19-13-9-6-10-14-19/h5-14,20H,4,15-17H2,1-3H3
InChIKeyZHNYMKAZPNFNDJ-UHFFFAOYSA-N
XLogP3.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenoxy-2-phenylacetamide
CID 94818236
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
N,N-dibutyl-2-phenoxybutanamide
CID 3492483
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
[4-[2-(dimethylamino)-2-oxo-1-phenylethoxy]phenoxy]boronic acid
CID 150984918
N-pentan-3-yl-2-phenoxy-2-phenylacetamide
CID 55752773
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
CID 76935003

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide (CID 71880422) is N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide is CCCN(CCN(C)C)C(=O)C(Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide?
The InChIKey is ZHNYMKAZPNFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-15-23(17-16-22(2)3)21(24)20(18-11-7-5-8-12-18)25-19-13-9-6-10-14-19/h5-14,20H,4,15-17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide?
N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide has a molecular weight of 340.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide is sourced from PubChem (CID 71880422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).