3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide

C18H20N2O3 — CID 71869566

IUPAC3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)N(Cc1cccc(C(N)=O)c1)CC(C)O2
InChIInChI=1S/C18H20N2O3/c1-12-10-20(11-13-4-3-5-14(8-13)18(19)21)16-9-15(22-2)6-7-17(16)23-12/h3-9,12H,10-11H2,1-2H3,(H2,19,21)
InChIKeyUVSQIAOQCQDQAZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.58
Rot. Bonds4

About 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide

3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide (PubChem CID 71869566) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide
PubChem CID71869566
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)N(Cc1cccc(C(N)=O)c1)CC(C)O2
InChIInChI=1S/C18H20N2O3/c1-12-10-20(11-13-4-3-5-14(8-13)18(19)21)16-9-15(22-2)6-7-17(16)23-12/h3-9,12H,10-11H2,1-2H3,(H2,19,21)
InChIKeyUVSQIAOQCQDQAZ-UHFFFAOYSA-N
XLogP2.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoic acid
CID 82025085
5-[[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 99630582
(2R)-4-[(3-carbamoylphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94143734
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 99816977
methyl 4-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1H-pyrrole-2-carboxylate
CID 75511027
methyl 2-(dimethylcarbamoyl)-4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 126645543
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
1-[4-[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropane-1-carbonitrile
CID 124615412
(3-carbamoylphenyl)methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 55634452
(3-chloro-4-pyridinyl)-[(2R)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 129370455

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide?
The IUPAC name of 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide (CID 71869566) is 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide is COc1ccc2c(c1)N(Cc1cccc(C(N)=O)c1)CC(C)O2.
What is the InChIKey of 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide?
The InChIKey is UVSQIAOQCQDQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-10-20(11-13-4-3-5-14(8-13)18(19)21)16-9-15(22-2)6-7-17(16)23-12/h3-9,12H,10-11H2,1-2H3,(H2,19,21).
What are the key properties of 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide?
3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzamide is sourced from PubChem (CID 71869566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).