(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide

C26H25N3O4 — CID 174322717

IUPAC(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide
SMILESCOc1ccc(C[C@H](Nc2nc3cccc(C)c3c(=O)o2)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c1-17-8-7-11-21-23(17)25(31)33-26(27-21)28-22(16-18-12-14-20(32-3)15-13-18)24(30)29(2)19-9-5-4-6-10-19/h4-15,22H,16H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyJIADKCLHIFEQJW-QFIPXVFZSA-N
MW443.50 g/mol
LogP4.19
Rot. Bonds7

About (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide

(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide (PubChem CID 174322717) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide
PubChem CID174322717
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide
SMILESCOc1ccc(C[C@H](Nc2nc3cccc(C)c3c(=O)o2)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c1-17-8-7-11-21-23(17)25(31)33-26(27-21)28-22(16-18-12-14-20(32-3)15-13-18)24(30)29(2)19-9-5-4-6-10-19/h4-15,22H,16H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyJIADKCLHIFEQJW-QFIPXVFZSA-N
XLogP4.19
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-3-(4-methoxyphenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5-methyl-3,1-benzoxazin-4-one
CID 174312393
(2S)-3-(4-hydroxyphenyl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid
CID 54146695
(2S)-N-benzyl-2-[[6-(benzylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 91393064
tert-butyl N-[[2-[[1-(4-chloro-N-methylanilino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]methyl]carbamate
CID 91353633
2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one
CID 15955767
ethyl N-[[2-[[(2S)-1-[benzyl(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]methyl]carbamate
CID 90780135
tert-butyl N-[[2-[[(2S)-1-[benzyl(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]methyl]carbamate
CID 57025187
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;sulfane
CID 158044742
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
(2S)-2-[[4-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 134344906
[2-[[(2S)-3-(4-methoxyphenyl)-1-oxo-1-(1-phenylpropylamino)propan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]methylcarbamic acid
CID 70204094

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide?
The IUPAC name of (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide (CID 174322717) is (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide is COc1ccc(C[C@H](Nc2nc3cccc(C)c3c(=O)o2)C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide?
The InChIKey is JIADKCLHIFEQJW-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17-8-7-11-21-23(17)25(31)33-26(27-21)28-22(16-18-12-14-20(32-3)15-13-18)24(30)29(2)19-9-5-4-6-10-19/h4-15,22H,16H2,1-3H3,(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide?
(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide has a molecular weight of 443.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methoxyphenyl)-N-methyl-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 174322717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).