N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide

C19H28N2O3 — CID 109389453

IUPACN'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H28N2O3/c1-12(2)16(22)19(3,4)11-20-17(23)18(24)21-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,16,22H,5-7,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyDPLZUBQVQFGCFF-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.27
Rot. Bonds5

About N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide

N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide (PubChem CID 109389453) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
PubChem CID109389453
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H28N2O3/c1-12(2)16(22)19(3,4)11-20-17(23)18(24)21-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,16,22H,5-7,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyDPLZUBQVQFGCFF-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.27
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-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide
CID 109389475
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798068
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
CID 111435652
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 82109369
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
CID 115156870
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea
CID 75416918
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide (CID 109389453) is N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide is CC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide?
The InChIKey is DPLZUBQVQFGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)16(22)19(3,4)11-20-17(23)18(24)21-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,16,22H,5-7,11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide?
N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide has a molecular weight of 332.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide is sourced from PubChem (CID 109389453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).