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

C18H18N2O3 — CID 110789900

IUPAC4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C18H18N2O3/c1-12-2-5-14(6-3-12)18(22)19-9-8-13-4-7-16-15(10-13)20-17(21)11-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyPNPJVBCOLXPPKJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.30
Rot. Bonds4

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

4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide (PubChem CID 110789900) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
PubChem CID110789900
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C18H18N2O3/c1-12-2-5-14(6-3-12)18(22)19-9-8-13-4-7-16-15(10-13)20-17(21)11-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyPNPJVBCOLXPPKJ-UHFFFAOYSA-N
XLogP2.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110795832
3-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789899
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
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
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzenesulfonamide
CID 110789961
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-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide (CID 110789900) is 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The InChIKey is PNPJVBCOLXPPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-2-5-14(6-3-12)18(22)19-9-8-13-4-7-16-15(10-13)20-17(21)11-23-16/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide is sourced from PubChem (CID 110789900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).