N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide

C24H22N2O2 — CID 100510950

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide
SMILESCc1ccc2oc(CCCC(=O)Nc3ccc4c5c(cccc35)CC4)nc2c1
InChIInChI=1S/C24H22N2O2/c1-15-8-13-21-20(14-15)26-23(28-21)7-3-6-22(27)25-19-12-11-17-10-9-16-4-2-5-18(19)24(16)17/h2,4-5,8,11-14H,3,6-7,9-10H2,1H3,(H,25,27)
InChIKeyVAPQNEDLEZEQKZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.35
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide

N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide (PubChem CID 100510950) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide
PubChem CID100510950
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide
SMILESCc1ccc2oc(CCCC(=O)Nc3ccc4c5c(cccc35)CC4)nc2c1
InChIInChI=1S/C24H22N2O2/c1-15-8-13-21-20(14-15)26-23(28-21)7-3-6-22(27)25-19-12-11-17-10-9-16-4-2-5-18(19)24(16)17/h2,4-5,8,11-14H,3,6-7,9-10H2,1H3,(H,25,27)
InChIKeyVAPQNEDLEZEQKZ-UHFFFAOYSA-N
XLogP5.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 8700493
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050486
4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,4-dimethylbenzamide
CID 1287902
2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide
CID 20719453
N-(1,2-dihydroacenaphthylen-5-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 806562
N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 100500998

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide (CID 100510950) is N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide is Cc1ccc2oc(CCCC(=O)Nc3ccc4c5c(cccc35)CC4)nc2c1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide?
The InChIKey is VAPQNEDLEZEQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-15-8-13-21-20(14-15)26-23(28-21)7-3-6-22(27)25-19-12-11-17-10-9-16-4-2-5-18(19)24(16)17/h2,4-5,8,11-14H,3,6-7,9-10H2,1H3,(H,25,27).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide has a molecular weight of 370.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide is sourced from PubChem (CID 100510950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).