2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide

C20H21N3O4 — CID 72855696

IUPAC2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1
InChIInChI=1S/C20H21N3O4/c1-22-17-11-14(6-7-18(17)27-12-19(22)24)21-20(25)23-9-8-16(23)13-4-3-5-15(10-13)26-2/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,25)
InChIKeyADZUUBAQQWRARO-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide

2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide (PubChem CID 72855696) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
PubChem CID72855696
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1
InChIInChI=1S/C20H21N3O4/c1-22-17-11-14(6-7-18(17)27-12-19(22)24)21-20(25)23-9-8-16(23)13-4-3-5-15(10-13)26-2/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,25)
InChIKeyADZUUBAQQWRARO-UHFFFAOYSA-N
XLogP3.03
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide
CID 74249571
2-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide
CID 143615273
(4S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-phenylazepane-1-carboxamide
CID 97436409
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102558481
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
(3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447942
(3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-propylmorpholine-4-carboxamide
CID 125447943
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide (CID 72855696) is 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide is COc1cccc(C2CCN2C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide?
The InChIKey is ADZUUBAQQWRARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-22-17-11-14(6-7-18(17)27-12-19(22)24)21-20(25)23-9-8-16(23)13-4-3-5-15(10-13)26-2/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide?
2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide is sourced from PubChem (CID 72855696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).