N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide

C16H22N2O3 — CID 91631229

IUPACN'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c1-15(2,3)18-14(20)13(19)17-10-16(21)8-11-6-4-5-7-12(11)9-16/h4-7,21H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyZFMVYALBYFWYEG-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.55
Rot. Bonds2

About N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide

N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide (PubChem CID 91631229) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
PubChem CID91631229
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c1-15(2,3)18-14(20)13(19)17-10-16(21)8-11-6-4-5-7-12(11)9-16/h4-7,21H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyZFMVYALBYFWYEG-UHFFFAOYSA-N
XLogP0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.55
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

CID 49670574
CID 49670574
CID 52992701
CID 52992701
CID 56765392
CID 56765392
CID 71782195
CID 71782195
CID 91631203
CID 91631203
CID 91631261
CID 91631261
CID 91631310
CID 91631310
CID 91631365
CID 91631365
CID 91631367
CID 91631367
CID 100733250
CID 100733250
CID 164631233
CID 164631233
CID 91631235
CID 91631235

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide (CID 91631229) is N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide is CC(C)(C)NC(=O)C(=O)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The InChIKey is ZFMVYALBYFWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(2,3)18-14(20)13(19)17-10-16(21)8-11-6-4-5-7-12(11)9-16/h4-7,21H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide has a molecular weight of 290.36 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide is sourced from PubChem (CID 91631229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).