N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide

C19H22N2O3 — CID 111121406

IUPACN'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H22N2O3/c1-2-4-14(22)11-20-18(23)19(24)21-16-10-9-13-8-7-12-5-3-6-15(16)17(12)13/h3,5-6,9-10,14,22H,2,4,7-8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyYVXTYNYBWFBPIR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds5

About N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide

N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide (PubChem CID 111121406) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
PubChem CID111121406
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H22N2O3/c1-2-4-14(22)11-20-18(23)19(24)21-16-10-9-13-8-7-12-5-3-6-15(16)17(12)13/h3,5-6,9-10,14,22H,2,4,7-8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyYVXTYNYBWFBPIR-UHFFFAOYSA-N
XLogP2.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
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-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121529
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
CID 115623569
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
N-[2-(2-hydroxyethyl)pentyl]-N'-naphthalen-1-yloxamide
CID 111491083
(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
CID 100565265
2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 133211172
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
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838382
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide?
The IUPAC name of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide (CID 111121406) is N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide?
The canonical SMILES for N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide is CCCC(O)CNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide?
The InChIKey is YVXTYNYBWFBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-4-14(22)11-20-18(23)19(24)21-16-10-9-13-8-7-12-5-3-6-15(16)17(12)13/h3,5-6,9-10,14,22H,2,4,7-8,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide?
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 2.15, 5 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-hydroxypentyl)oxamide is sourced from PubChem (CID 111121406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).