N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide

C22H22N2O — CID 134031739

IUPACN-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
SMILESCC(Nc1ccc2c3c(cccc13)CC2)C(=O)NCc1ccccc1
InChIInChI=1S/C22H22N2O/c1-15(22(25)23-14-16-6-3-2-4-7-16)24-20-13-12-18-11-10-17-8-5-9-19(20)21(17)18/h2-9,12-13,15,24H,10-11,14H2,1H3,(H,23,25)
InChIKeyFVSKKTBQVLSMIZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide

N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide (PubChem CID 134031739) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
PubChem CID134031739
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
SMILESCC(Nc1ccc2c3c(cccc13)CC2)C(=O)NCc1ccccc1
InChIInChI=1S/C22H22N2O/c1-15(22(25)23-14-16-6-3-2-4-7-16)24-20-13-12-18-11-10-17-8-5-9-19(20)21(17)18/h2-9,12-13,15,24H,10-11,14H2,1H3,(H,23,25)
InChIKeyFVSKKTBQVLSMIZ-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
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(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
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N-benzyl-2-methylpropanamide;methane
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(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-benzylpropanamide
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(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide?
The IUPAC name of N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide (CID 134031739) is N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide.
What is the SMILES notation for N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide?
The canonical SMILES for N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide is CC(Nc1ccc2c3c(cccc13)CC2)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide?
The InChIKey is FVSKKTBQVLSMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15(22(25)23-14-16-6-3-2-4-7-16)24-20-13-12-18-11-10-17-8-5-9-19(20)21(17)18/h2-9,12-13,15,24H,10-11,14H2,1H3,(H,23,25).
What are the key properties of N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide?
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide has a molecular weight of 330.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide is sourced from PubChem (CID 134031739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).