N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C18H18N2O3 — CID 110682780

IUPACN-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(=O)N(C)Cc3ccccc3)ccc2NC1=O
InChIInChI=1S/C18H18N2O3/c1-12-17(21)19-15-9-8-14(10-16(15)23-12)18(22)20(2)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyZPHAUTUMVWWZNV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.68
Rot. Bonds3

About N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 110682780) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID110682780
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(=O)N(C)Cc3ccccc3)ccc2NC1=O
InChIInChI=1S/C18H18N2O3/c1-12-17(21)19-15-9-8-14(10-16(15)23-12)18(22)20(2)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyZPHAUTUMVWWZNV-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

methyl-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid
CID 115171007
2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
CID 110682825
N-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl bromide
CID 115193782
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682823
3-oxo-2-(2-phenylethyl)-4H-1,4-benzoxazine-7-carboxylic acid
CID 142671786
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682883
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 66716785
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 110682780) is N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CC1Oc2cc(C(=O)N(C)Cc3ccccc3)ccc2NC1=O.
What is the InChIKey of N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is ZPHAUTUMVWWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-17(21)19-15-9-8-14(10-16(15)23-12)18(22)20(2)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).