(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide

C22H22N2O — CID 100565265

IUPAC(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)[C@@H](C(=O)Nc1ccc2c3c(cccc13)CC2)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-24(2)21(17-7-4-3-5-8-17)22(25)23-19-14-13-16-12-11-15-9-6-10-18(19)20(15)16/h3-10,13-14,21H,11-12H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyATVKCZHUBRWBBY-OAQYLSRUSA-N
MW330.43 g/mol
LogP4.18
Rot. Bonds4

About (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide

(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide (PubChem CID 100565265) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
PubChem CID100565265
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)[C@@H](C(=O)Nc1ccc2c3c(cccc13)CC2)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-24(2)21(17-7-4-3-5-8-17)22(25)23-19-14-13-16-12-11-15-9-6-10-18(19)20(15)16/h3-10,13-14,21H,11-12H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyATVKCZHUBRWBBY-OAQYLSRUSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea
CID 99828874
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
N-(2-bromophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110425843
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
CID 30309317
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133229238
N-(4-acetamidophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 47839295
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
N-(1,2-dihydroacenaphthylen-5-yl)-1-phenylcyclopentane-1-carboxamide
CID 17148227
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125058094
2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 133211172
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide (CID 100565265) is (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide is CN(C)[C@@H](C(=O)Nc1ccc2c3c(cccc13)CC2)c1ccccc1.
What is the InChIKey of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is ATVKCZHUBRWBBY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24(2)21(17-7-4-3-5-8-17)22(25)23-19-14-13-16-12-11-15-9-6-10-18(19)20(15)16/h3-10,13-14,21H,11-12H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide?
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 100565265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).