N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide

C20H22N2O3 — CID 110778200

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)c1
InChIInChI=1S/C20H22N2O3/c1-13-5-4-6-15(11-13)7-10-19(23)21-16-8-9-18-17(12-16)22(3)20(24)14(2)25-18/h4-6,8-9,11-12,14H,7,10H2,1-3H3,(H,21,23)
InChIKeySYYBFDWKBMPNMW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.31
Rot. Bonds4

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide (PubChem CID 110778200) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
PubChem CID110778200
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)c1
InChIInChI=1S/C20H22N2O3/c1-13-5-4-6-15(11-13)7-10-19(23)21-16-8-9-18-17(12-16)22(3)20(24)14(2)25-18/h4-6,8-9,11-12,14H,7,10H2,1-3H3,(H,21,23)
InChIKeySYYBFDWKBMPNMW-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 131950599
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 92612976
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide (CID 110778200) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)c1.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is SYYBFDWKBMPNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-5-4-6-15(11-13)7-10-19(23)21-16-8-9-18-17(12-16)22(3)20(24)14(2)25-18/h4-6,8-9,11-12,14H,7,10H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 110778200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).