N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide

C23H28N2O4 — CID 96517602

IUPACN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
SMILESCOc1ccccc1C[C@H](C)N(C)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21
InChIInChI=1S/C23H28N2O4/c1-16(15-18-9-5-7-11-20(18)28-4)24(3)22(26)13-14-25-19-10-6-8-12-21(19)29-17(2)23(25)27/h5-12,16-17H,13-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyARUGWGLGSJDASJ-IRXDYDNUSA-N
MW396.49 g/mol
LogP3.29
Rot. Bonds7

About N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide

N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide (PubChem CID 96517602) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
PubChem CID96517602
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
SMILESCOc1ccccc1C[C@H](C)N(C)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21
InChIInChI=1S/C23H28N2O4/c1-16(15-18-9-5-7-11-20(18)28-4)24(3)22(26)13-14-25-19-10-6-8-12-21(19)29-17(2)23(25)27/h5-12,16-17H,13-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyARUGWGLGSJDASJ-IRXDYDNUSA-N
XLogP3.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119583899
N-[2-(2-methoxyphenyl)ethyl]-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 40811789
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 18111690
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51266851
N-(1-methoxypropan-2-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 18161160
N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 60618992
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
N-(2,4-dimethoxyphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51265045
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 60569346

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
The IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide (CID 96517602) is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
The canonical SMILES for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide is COc1ccccc1C[C@H](C)N(C)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21.
What is the InChIKey of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
The InChIKey is ARUGWGLGSJDASJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(15-18-9-5-7-11-20(18)28-4)24(3)22(26)13-14-25-19-10-6-8-12-21(19)29-17(2)23(25)27/h5-12,16-17H,13-15H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide is sourced from PubChem (CID 96517602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).