6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C16H24ClN3O2 — CID 167958422

IUPAC6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)CN(C)C)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H24ClN3O2/c1-11-9-20(13-8-12(17)6-7-14(13)22-11)15(21)18-16(2,3)10-19(4)5/h6-8,11H,9-10H2,1-5H3,(H,18,21)
InChIKeyZIRAMTVRDDAMKM-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.98
Rot. Bonds3

About 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 167958422) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID167958422
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)CN(C)C)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H24ClN3O2/c1-11-9-20(13-8-12(17)6-7-14(13)22-11)15(21)18-16(2,3)10-19(4)5/h6-8,11H,9-10H2,1-5H3,(H,18,21)
InChIKeyZIRAMTVRDDAMKM-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 167958422) is 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC1CN(C(=O)NC(C)(C)CN(C)C)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is ZIRAMTVRDDAMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11-9-20(13-8-12(17)6-7-14(13)22-11)15(21)18-16(2,3)10-19(4)5/h6-8,11H,9-10H2,1-5H3,(H,18,21).
What are the key properties of 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 167958422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).