N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C22H25N3O3 — CID 8796440

IUPACN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCc1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-4-15-9-11-16(12-10-15)19(24(2)3)13-23-20(26)14-25-21(27)17-7-5-6-8-18(17)22(25)28/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyQREUHTVXCWHIKN-IBGZPJMESA-N
MW379.46 g/mol
LogP2.26
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 8796440) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID8796440
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCc1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-4-15-9-11-16(12-10-15)19(24(2)3)13-23-20(26)14-25-21(27)17-7-5-6-8-18(17)22(25)28/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyQREUHTVXCWHIKN-IBGZPJMESA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Isopropylphthalimide
CID 67535
Nvp-dky709
CID 137519326
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
(R)-Thalidomide
CID 75792
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739
L 693593
CID 65001
3-(N-(phthalimidomethyl)amino)-5-ethyl-6-methylpyridin-2-(1H)-one
CID 126764

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 8796440) is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CCc1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is QREUHTVXCWHIKN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-15-9-11-16(12-10-15)19(24(2)3)13-23-20(26)14-25-21(27)17-7-5-6-8-18(17)22(25)28/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 8796440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).