N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide

C24H23N3O3 — CID 51956918

IUPACN-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)C1=O
InChIInChI=1S/C24H23N3O3/c1-17-24(29)27(20-13-6-7-14-21(20)30-17)16-22(28)26(2)23(18-10-4-3-5-11-18)19-12-8-9-15-25-19/h3-15,17,23H,16H2,1-2H3/t17-,23+/m1/s1
InChIKeyKWKMBBMOSIVAFB-HXOBKFHXSA-N
MW401.47 g/mol
LogP3.44
Rot. Bonds5

About N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide

N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 51956918) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID51956918
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)C1=O
InChIInChI=1S/C24H23N3O3/c1-17-24(29)27(20-13-6-7-14-21(20)30-17)16-22(28)26(2)23(18-10-4-3-5-11-18)19-12-8-9-15-25-19/h3-15,17,23H,16H2,1-2H3/t17-,23+/m1/s1
InChIKeyKWKMBBMOSIVAFB-HXOBKFHXSA-N
XLogP3.44
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545532
2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 52545533
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 1455606
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 654712
N-methyl-2-(2-methylindol-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767403
2-methyl-4-(2-oxobutyl)-1,4-benzoxazin-3-one
CID 62038277
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119528686
1-[methyl-[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539892

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide (CID 51956918) is N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide is C[C@H]1Oc2ccccc2N(CC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)C1=O.
What is the InChIKey of N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is KWKMBBMOSIVAFB-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-24(29)27(20-13-6-7-14-21(20)30-17)16-22(28)26(2)23(18-10-4-3-5-11-18)19-12-8-9-15-25-19/h3-15,17,23H,16H2,1-2H3/t17-,23+/m1/s1.
What are the key properties of N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide?
N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 51956918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).