N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide

C19H20N2O4 — CID 122483560

IUPACN-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide
SMILESCc1ccc(OCCN2C(=O)C(C)Oc3cc(NC=O)ccc32)cc1
InChIInChI=1S/C19H20N2O4/c1-13-3-6-16(7-4-13)24-10-9-21-17-8-5-15(20-12-22)11-18(17)25-14(2)19(21)23/h3-8,11-12,14H,9-10H2,1-2H3,(H,20,22)
InChIKeyDCQXSXCWOHMVRT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds6

About N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide

N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide (PubChem CID 122483560) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide.

Molecular Properties

Compound NameN-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide
PubChem CID122483560
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide
SMILESCc1ccc(OCCN2C(=O)C(C)Oc3cc(NC=O)ccc32)cc1
InChIInChI=1S/C19H20N2O4/c1-13-3-6-16(7-4-13)24-10-9-21-17-8-5-15(20-12-22)11-18(17)25-14(2)19(21)23/h3-8,11-12,14H,9-10H2,1-2H3,(H,20,22)
InChIKeyDCQXSXCWOHMVRT-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

10-[2-(4-methylphenoxy)ethyl]phenoxazine
CID 123668404
4-(2-butoxyethyl)-7-iodo-2-methyl-1,4-benzoxazin-3-one
CID 79788002
2-[(2S)-2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 94063588
7-iodo-2-methyl-4-(2-propan-2-yloxyethyl)-1,4-benzoxazin-3-one
CID 79788086
2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 61387963
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
7-iodo-2-methyl-4-[2-(trifluoromethoxy)ethyl]-1,4-benzoxazin-3-one
CID 79787584
(2R)-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431675
2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 53016064
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46648744
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 9120435
7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
CID 62987546

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide?
The IUPAC name of N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide (CID 122483560) is N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide.
What is the SMILES notation for N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide?
The canonical SMILES for N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide is Cc1ccc(OCCN2C(=O)C(C)Oc3cc(NC=O)ccc32)cc1.
What is the InChIKey of N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide?
The InChIKey is DCQXSXCWOHMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-3-6-16(7-4-13)24-10-9-21-17-8-5-15(20-12-22)11-18(17)25-14(2)19(21)23/h3-8,11-12,14H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide?
N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide has a molecular weight of 340.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]formamide is sourced from PubChem (CID 122483560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).