2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide

C20H20N2O3 — CID 17359918

IUPAC2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-6-13(2)18(23)21-15-11-9-14(10-12-15)19-22-17-8-5-4-7-16(17)20(24)25-19/h4-5,7-13H,3,6H2,1-2H3,(H,21,23)
InChIKeyANUYAMGVPKUSNT-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.23
Rot. Bonds5

About 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide

2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide (PubChem CID 17359918) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
PubChem CID17359918
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-6-13(2)18(23)21-15-11-9-14(10-12-15)19-22-17-8-5-4-7-16(17)20(24)25-19/h4-5,7-13H,3,6H2,1-2H3,(H,21,23)
InChIKeyANUYAMGVPKUSNT-UHFFFAOYSA-N
XLogP4.23
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 17359912
2-methyl-N-phenylpentanamide
CID 4627801
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
CID 68568728
CID 68568728
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
CID 1381906
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide (CID 17359918) is 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide is CCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide?
The InChIKey is ANUYAMGVPKUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-6-13(2)18(23)21-15-11-9-14(10-12-15)19-22-17-8-5-4-7-16(17)20(24)25-19/h4-5,7-13H,3,6H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide?
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide has a molecular weight of 336.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide is sourced from PubChem (CID 17359918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).