N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide

C22H21NO2 — CID 30309317

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H21NO2/c1-22(2,25-17-8-4-3-5-9-17)21(24)23-19-14-13-16-12-11-15-7-6-10-18(19)20(15)16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)
InChIKeyIXGYFNHBJWCMFT-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.73
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide (PubChem CID 30309317) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
PubChem CID30309317
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H21NO2/c1-22(2,25-17-8-4-3-5-9-17)21(24)23-19-14-13-16-12-11-15-7-6-10-18(19)20(15)16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)
InChIKeyIXGYFNHBJWCMFT-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide (CID 30309317) is N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide?
The InChIKey is IXGYFNHBJWCMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2,25-17-8-4-3-5-9-17)21(24)23-19-14-13-16-12-11-15-7-6-10-18(19)20(15)16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30309317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).