4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide

C21H20N2O2 — CID 101152318

IUPAC4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2O)cc1
InChIInChI=1S/C21H20N2O2/c1-23(2)15-11-9-14(10-12-15)21(25)22-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)24/h3-12,19-20,24H,1-2H3,(H,22,25)/t19-,20+/m0/s1
InChIKeyVEOPCXKKOULEIC-VQTJNVASSA-N
MW332.40 g/mol
LogP3.42
Rot. Bonds3

About 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide

4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide (PubChem CID 101152318) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide
PubChem CID101152318
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2O)cc1
InChIInChI=1S/C21H20N2O2/c1-23(2)15-11-9-14(10-12-15)21(25)22-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)24/h3-12,19-20,24H,1-2H3,(H,22,25)/t19-,20+/m0/s1
InChIKeyVEOPCXKKOULEIC-VQTJNVASSA-N
XLogP3.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide (CID 101152318) is 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide is CN(C)c1ccc(C(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide?
The InChIKey is VEOPCXKKOULEIC-VQTJNVASSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-23(2)15-11-9-14(10-12-15)21(25)22-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)24/h3-12,19-20,24H,1-2H3,(H,22,25)/t19-,20+/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide?
4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1S,2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]benzamide is sourced from PubChem (CID 101152318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).