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

C21H20N2O3 — CID 839397

IUPACN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CCCCC1
InChIInChI=1S/C21H20N2O3/c24-19(14-6-2-1-3-7-14)22-16-12-10-15(11-13-16)20-23-18-9-5-4-8-17(18)21(25)26-20/h4-5,8-14H,1-3,6-7H2,(H,22,24)
InChIKeyMUOFMCKBXCUBAB-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.37
Rot. Bonds3

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

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 839397) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID839397
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CCCCC1
InChIInChI=1S/C21H20N2O3/c24-19(14-6-2-1-3-7-14)22-16-12-10-15(11-13-16)20-23-18-9-5-4-8-17(18)21(25)26-20/h4-5,8-14H,1-3,6-7H2,(H,22,24)
InChIKeyMUOFMCKBXCUBAB-UHFFFAOYSA-N
XLogP4.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
CID 68568728
CID 68568728
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 10155316
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063740
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide (CID 839397) is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is MUOFMCKBXCUBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19(14-6-2-1-3-7-14)22-16-12-10-15(11-13-16)20-23-18-9-5-4-8-17(18)21(25)26-20/h4-5,8-14H,1-3,6-7H2,(H,22,24).
What are the key properties of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide?
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 839397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).