4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide

C19H21N3O3 — CID 110795832

IUPAC4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C19H21N3O3/c1-22(2)15-6-4-14(5-7-15)19(24)20-10-9-13-3-8-17-16(11-13)21-18(23)12-25-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZILPMDGSTBNVDF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds5

About 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide

4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide (PubChem CID 110795832) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
PubChem CID110795832
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C19H21N3O3/c1-22(2)15-6-4-14(5-7-15)19(24)20-10-9-13-3-8-17-16(11-13)21-18(23)12-25-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZILPMDGSTBNVDF-UHFFFAOYSA-N
XLogP2.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
3-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789899
4-(dimethylamino)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110795466
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789945
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
6-[2-(azetidin-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 115207809

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide (CID 110795832) is 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide is CN(C)c1ccc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The InChIKey is ZILPMDGSTBNVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(2)15-6-4-14(5-7-15)19(24)20-10-9-13-3-8-17-16(11-13)21-18(23)12-25-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide is sourced from PubChem (CID 110795832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).