2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide

C23H27N3O4 — CID 9145426

IUPAC2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C23H27N3O4/c1-13(2)11-19(26-22(28)17-8-6-5-7-14(17)3)23(29)24-16-9-10-20-18(12-16)25-21(27)15(4)30-20/h5-10,12-13,15,19H,11H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t15-,19+/m1/s1
InChIKeyXQLHGOMXQCGEBW-BEFAXECRSA-N
MW409.49 g/mol
LogP3.50
Rot. Bonds6

About 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide

2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 9145426) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide
PubChem CID9145426
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C23H27N3O4/c1-13(2)11-19(26-22(28)17-8-6-5-7-14(17)3)23(29)24-16-9-10-20-18(12-16)25-21(27)15(4)30-20/h5-10,12-13,15,19H,11H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t15-,19+/m1/s1
InChIKeyXQLHGOMXQCGEBW-BEFAXECRSA-N
XLogP3.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[(2S)-3-methyl-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxobutan-2-yl]benzamide
CID 9145392
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
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2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
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N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
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N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
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2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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CID 17413196
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
CID 18093093
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
(2S)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9146461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide (CID 9145426) is 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is XQLHGOMXQCGEBW-BEFAXECRSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-13(2)11-19(26-22(28)17-8-6-5-7-14(17)3)23(29)24-16-9-10-20-18(12-16)25-21(27)15(4)30-20/h5-10,12-13,15,19H,11H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t15-,19+/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide?
2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-4-methyl-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 9145426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).