4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

C18H21N3O2 — CID 110744732

IUPAC4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1
InChIInChI=1S/C18H21N3O2/c1-20(2)15-7-4-13(5-8-15)18(22)19-14-6-9-17-16(12-14)21(3)10-11-23-17/h4-9,12H,10-11H2,1-3H3,(H,19,22)
InChIKeyUSGQXYSVZWNRNE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.83
Rot. Bonds3

About 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (PubChem CID 110744732) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
PubChem CID110744732
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1
InChIInChI=1S/C18H21N3O2/c1-20(2)15-7-4-13(5-8-15)18(22)19-14-6-9-17-16(12-14)21(3)10-11-23-17/h4-9,12H,10-11H2,1-3H3,(H,19,22)
InChIKeyUSGQXYSVZWNRNE-UHFFFAOYSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412576
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 110639536
3,4-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412589
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (CID 110744732) is 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is CN(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is USGQXYSVZWNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20(2)15-7-4-13(5-8-15)18(22)19-14-6-9-17-16(12-14)21(3)10-11-23-17/h4-9,12H,10-11H2,1-3H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 110744732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).