N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C21H23N3O3 — CID 8936932

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCN(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-23(2)14-18(15-8-4-3-5-9-15)22-19(25)12-13-24-20(26)16-10-6-7-11-17(16)21(24)27/h3-11,18H,12-14H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyCTHIXUZCQIZBOT-SFHVURJKSA-N
MW365.43 g/mol
LogP2.09
Rot. Bonds7

About N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 8936932) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID8936932
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCN(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-23(2)14-18(15-8-4-3-5-9-15)22-19(25)12-13-24-20(26)16-10-6-7-11-17(16)21(24)27/h3-11,18H,12-14H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyCTHIXUZCQIZBOT-SFHVURJKSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide 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

4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
3-(1,3-dioxoisoindol-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]propanamide
CID 45146224
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
CID 86929497
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide
CID 19189100
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23993693
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 8936932) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is CN(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is CTHIXUZCQIZBOT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23(2)14-18(15-8-4-3-5-9-15)22-19(25)12-13-24-20(26)16-10-6-7-11-17(16)21(24)27/h3-11,18H,12-14H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 8936932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).