N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C18H20N4O3 — CID 124607935

IUPACN-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCCc1cc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)nc(C)n1
InChIInChI=1S/C18H20N4O3/c1-4-13-9-16(20-12(3)19-13)21-17(23)10-22-14-7-5-6-8-15(14)25-11(2)18(22)24/h5-9,11H,4,10H2,1-3H3,(H,19,20,21,23)/t11-/m0/s1
InChIKeyKUTRMTHIWJBVGG-NSHDSACASA-N
MW340.38 g/mol
LogP2.10
Rot. Bonds4

About N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 124607935) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID124607935
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCCc1cc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)nc(C)n1
InChIInChI=1S/C18H20N4O3/c1-4-13-9-16(20-12(3)19-13)21-17(23)10-22-14-7-5-6-8-15(14)25-11(2)18(22)24/h5-9,11H,4,10H2,1-3H3,(H,19,20,21,23)/t11-/m0/s1
InChIKeyKUTRMTHIWJBVGG-NSHDSACASA-N
XLogP2.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide with MolForge

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17449384
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
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2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977
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2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
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N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 23410212
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-propoxyphenyl)acetamide
CID 17410983
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
N-[2-(ethylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119507397

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 124607935) is N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is CCc1cc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)nc(C)n1.
What is the InChIKey of N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is KUTRMTHIWJBVGG-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-13-9-16(20-12(3)19-13)21-17(23)10-22-14-7-5-6-8-15(14)25-11(2)18(22)24/h5-9,11H,4,10H2,1-3H3,(H,19,20,21,23)/t11-/m0/s1.
What are the key properties of N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 124607935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).