3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

C49H50N4O6 — CID 144901027

IUPAC3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCOc1cccc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2C)c1.COc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1C
InChIInChI=1S/C25H26N2O3.C24H24N2O3/c1-3-30-21-14-9-13-20(17-21)24(28)27-23(16-19-11-5-4-6-12-19)25(29)26-22-15-8-7-10-18(22)2;1-17-10-6-8-14-20(17)25-24(28)21(16-18-11-4-3-5-12-18)26-23(27)19-13-7-9-15-22(19)29-2/h4-15,17,23H,3,16H2,1-2H3,(H,26,29)(H,27,28);3-15,21H,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCTVXJVCQCVAUPS-UHFFFAOYSA-N
MW790.96 g/mol
LogP8.36
Rot. Bonds15

About 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 144901027) has the molecular formula C49H50N4O6 and a molecular weight of 790.96 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID144901027
Molecular FormulaC49H50N4O6
Molecular Weight790.96 g/mol
Exact Mass790.37
IUPAC Name3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCOc1cccc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2C)c1.COc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1C
InChIInChI=1S/C25H26N2O3.C24H24N2O3/c1-3-30-21-14-9-13-20(17-21)24(28)27-23(16-19-11-5-4-6-12-19)25(29)26-22-15-8-7-10-18(22)2;1-17-10-6-8-14-20(17)25-24(28)21(16-18-11-4-3-5-12-18)26-23(27)19-13-7-9-15-22(19)29-2/h4-15,17,23H,3,16H2,1-2H3,(H,26,29)(H,27,28);3-15,21H,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCTVXJVCQCVAUPS-UHFFFAOYSA-N
XLogP8.36
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.96
LogP ≤ 58.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
N-[1-[2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296459
N-[3-(3,4-dihydroxyphenyl)-1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 118296421
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142869177
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]-3-bromobenzamide
CID 4990800
N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide
CID 3345423
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
2-methoxy-N-[1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 5012736

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 144901027) is 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is CCOc1cccc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2C)c1.COc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1C.
What is the InChIKey of 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is CTVXJVCQCVAUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3.C24H24N2O3/c1-3-30-21-14-9-13-20(17-21)24(28)27-23(16-19-11-5-4-6-12-19)25(29)26-22-15-8-7-10-18(22)2;1-17-10-6-8-14-20(17)25-24(28)21(16-18-11-4-3-5-12-18)26-23(27)19-13-7-9-15-22(19)29-2/h4-15,17,23H,3,16H2,1-2H3,(H,26,29)(H,27,28);3-15,21H,16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 790.96 g/mol, XLogP of 8.36, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 144901027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).