N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide

C19H20N4O — CID 130430420

IUPACN-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc2c(c(-c3ccccc3)c1)CN(C#N)C2
InChIInChI=1S/C19H20N4O/c1-22(2)12-19(24)21-16-8-15-10-23(13-20)11-18(15)17(9-16)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,21,24)
InChIKeyCGUWYNRWKBPNDS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.65
Rot. Bonds4

About N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide

N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide (PubChem CID 130430420) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide
PubChem CID130430420
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cc2c(c(-c3ccccc3)c1)CN(C#N)C2
InChIInChI=1S/C19H20N4O/c1-22(2)12-19(24)21-16-8-15-10-23(13-20)11-18(15)17(9-16)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,21,24)
InChIKeyCGUWYNRWKBPNDS-UHFFFAOYSA-N
XLogP2.65
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 3157325
N-[4-(1,3-Dihydro-2H-isoindol-2-yl)phenyl]acetamide
CID 1131221
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2442182
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2447380
2-[3-(diethylamino)propylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4328626
N-(3,5-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4879217
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195172
8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indol-2-one
CID 10016864
Gnf-PF-3071
CID 4532985
N-(3,4-dimethylphenyl)-1-indolinecarboxamide
CID 6470011
N-[4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinolin-6-yl)-phenyl]-acetamide
CID 13646528
2-(4-phenylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide (CID 130430420) is N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cc2c(c(-c3ccccc3)c1)CN(C#N)C2.
What is the InChIKey of N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide?
The InChIKey is CGUWYNRWKBPNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22(2)12-19(24)21-16-8-15-10-23(13-20)11-18(15)17(9-16)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide?
N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-7-phenyl-1,3-dihydroisoindol-5-yl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 130430420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).