6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide

C17H24Cl2N2O2 — CID 110190318

IUPAC6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)O1
InChIInChI=1S/C17H24Cl2N2O2/c1-16(2,3)14-8-9-21(17(4,5)23-14)15(22)20-11-6-7-12(18)13(19)10-11/h6-7,10,14H,8-9H2,1-5H3,(H,20,22)
InChIKeyMGPHBTKLLPMIGO-UHFFFAOYSA-N
MW359.30 g/mol
LogP5.40
Rot. Bonds1

About 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide

6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide (PubChem CID 110190318) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide
PubChem CID110190318
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)O1
InChIInChI=1S/C17H24Cl2N2O2/c1-16(2,3)14-8-9-21(17(4,5)23-14)15(22)20-11-6-7-12(18)13(19)10-11/h6-7,10,14H,8-9H2,1-5H3,(H,20,22)
InChIKeyMGPHBTKLLPMIGO-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
CID 134086769
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 102785989
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
1-(3,4-dichlorophenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 103800949
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide (CID 110190318) is 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide is CC(C)(C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)O1.
What is the InChIKey of 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide?
The InChIKey is MGPHBTKLLPMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-16(2,3)14-8-9-21(17(4,5)23-14)15(22)20-11-6-7-12(18)13(19)10-11/h6-7,10,14H,8-9H2,1-5H3,(H,20,22).
What are the key properties of 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide?
6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazinane-3-carboxamide is sourced from PubChem (CID 110190318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).