N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide

C20H24N2O3 — CID 111121529

IUPACN'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
SMILESCC(C)(C)C(O)CNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16(23)11-21-18(24)19(25)22-15-10-9-13-8-7-12-5-4-6-14(15)17(12)13/h4-6,9-10,16,23H,7-8,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYBSQEMLRDXTWHW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.40
Rot. Bonds3

About N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide

N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide (PubChem CID 111121529) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
PubChem CID111121529
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
SMILESCC(C)(C)C(O)CNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16(23)11-21-18(24)19(25)22-15-10-9-13-8-7-12-5-4-6-14(15)17(12)13/h4-6,9-10,16,23H,7-8,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYBSQEMLRDXTWHW-UHFFFAOYSA-N
XLogP2.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
CID 111121406
N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide
CID 75403476
N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121541
N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
CID 96530978
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
CID 30309317
3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea
CID 99828874
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
CID 100565265
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111629766
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
1-(1,2-dihydroacenaphthylen-5-yl)-3-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95321368

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The IUPAC name of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide (CID 111121529) is N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide.
What is the SMILES notation for N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The canonical SMILES for N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide is CC(C)(C)C(O)CNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The InChIKey is YBSQEMLRDXTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16(23)11-21-18(24)19(25)22-15-10-9-13-8-7-12-5-4-6-14(15)17(12)13/h4-6,9-10,16,23H,7-8,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide is sourced from PubChem (CID 111121529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).