4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide

C20H20N2O3 — CID 19030593

IUPAC4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
SMILESCCCCc1ccc(C(=O)N(C)c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-4-7-14-10-12-15(13-11-14)18(23)22(2)20-21-17-9-6-5-8-16(17)19(24)25-20/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyVYRPDINXQAQGPN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.81
Rot. Bonds5

About 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide

4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide (PubChem CID 19030593) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide.

Molecular Properties

Compound Name4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
PubChem CID19030593
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
SMILESCCCCc1ccc(C(=O)N(C)c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-4-7-14-10-12-15(13-11-14)18(23)22(2)20-21-17-9-6-5-8-16(17)19(24)25-20/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyVYRPDINXQAQGPN-UHFFFAOYSA-N
XLogP3.81
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide
CID 54247237
2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 19030608
3-carbamimidoyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 19030600
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
4-butyl-N-hydroxy-N-phenylbenzamide
CID 14768049
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 135542785
4-butyl-N,N-diethylbenzamide
CID 60675001
4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 42657450
2-propyl-3,1-benzoxazin-4-one
CID 823661
4-butyl-N-[2-(dimethylamino)ethyl]-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719503

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
The IUPAC name of 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide (CID 19030593) is 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide.
What is the SMILES notation for 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
The canonical SMILES for 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide is CCCCc1ccc(C(=O)N(C)c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
The InChIKey is VYRPDINXQAQGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-4-7-14-10-12-15(13-11-14)18(23)22(2)20-21-17-9-6-5-8-16(17)19(24)25-20/h5-6,8-13H,3-4,7H2,1-2H3.
What are the key properties of 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide?
4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide is sourced from PubChem (CID 19030593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).