2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide

C26H22N2O — CID 68969128

IUPAC2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide
SMILESO=C(CNC1Cc2cccc3cccc1c23)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O/c29-25(28(21-12-3-1-4-13-21)22-14-5-2-6-15-22)18-27-24-17-20-11-7-9-19-10-8-16-23(24)26(19)20/h1-16,24,27H,17-18H2
InChIKeyBBKKQNIVKZYRRD-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.39
Rot. Bonds5

About 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide

2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide (PubChem CID 68969128) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide
PubChem CID68969128
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide
SMILESO=C(CNC1Cc2cccc3cccc1c23)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O/c29-25(28(21-12-3-1-4-13-21)22-14-5-2-6-15-22)18-27-24-17-20-11-7-9-19-10-8-16-23(24)26(19)20/h1-16,24,27H,17-18H2
InChIKeyBBKKQNIVKZYRRD-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide (CID 68969128) is 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide is O=C(CNC1Cc2cccc3cccc1c23)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide?
The InChIKey is BBKKQNIVKZYRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c29-25(28(21-12-3-1-4-13-21)22-14-5-2-6-15-22)18-27-24-17-20-11-7-9-19-10-8-16-23(24)26(19)20/h1-16,24,27H,17-18H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide?
2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide has a molecular weight of 378.48 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-1-ylamino)-N,N-diphenylacetamide is sourced from PubChem (CID 68969128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).