N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide

C19H20N2O4 — CID 110783645

IUPACN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide
SMILESCC1Oc2ccc(CNC(=O)CCOc3ccccc3)cc2NC1=O
InChIInChI=1S/C19H20N2O4/c1-13-19(23)21-16-11-14(7-8-17(16)25-13)12-20-18(22)9-10-24-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVCTSOTNMJCTFNJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds6

About N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide (PubChem CID 110783645) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide
PubChem CID110783645
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide
SMILESCC1Oc2ccc(CNC(=O)CCOc3ccccc3)cc2NC1=O
InChIInChI=1S/C19H20N2O4/c1-13-19(23)21-16-11-14(7-8-17(16)25-13)12-20-18(22)9-10-24-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVCTSOTNMJCTFNJ-UHFFFAOYSA-N
XLogP2.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]butanamide
CID 110783616
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyridine-2-carboxamide
CID 110794357
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527
1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-propan-2-ylurea
CID 110775237
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562
3-cyano-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783633
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-methylphenoxy)propanamide
CID 9145274
3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783627
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9146393
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 66716761

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide (CID 110783645) is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide is CC1Oc2ccc(CNC(=O)CCOc3ccccc3)cc2NC1=O.
What is the InChIKey of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide?
The InChIKey is VCTSOTNMJCTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-19(23)21-16-11-14(7-8-17(16)25-13)12-20-18(22)9-10-24-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide?
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide has a molecular weight of 340.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110783645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).