N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide

C40H38N4O6 — CID 134344803

IUPACN-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(N(C)C(=O)CNC(=O)c2ccccc2-c2ccccc2C(=O)N[C@H](C(=O)N(C)c2ccc(OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H38N4O6/c1-43(28-18-22-30(49-3)23-19-28)36(45)26-41-38(46)34-16-10-8-14-32(34)33-15-9-11-17-35(33)39(47)42-37(27-12-6-5-7-13-27)40(48)44(2)29-20-24-31(50-4)25-21-29/h5-25,37H,26H2,1-4H3,(H,41,46)(H,42,47)/t37-/m0/s1
InChIKeyMOOXJVIZJLUWLT-QNGWXLTQSA-N
MW670.77 g/mol
LogP5.90
Rot. Bonds12

About N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide

N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide (PubChem CID 134344803) has the molecular formula C40H38N4O6 and a molecular weight of 670.77 g/mol. Its IUPAC name is N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide
PubChem CID134344803
Molecular FormulaC40H38N4O6
Molecular Weight670.77 g/mol
Exact Mass670.28
IUPAC NameN-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(N(C)C(=O)CNC(=O)c2ccccc2-c2ccccc2C(=O)N[C@H](C(=O)N(C)c2ccc(OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C40H38N4O6/c1-43(28-18-22-30(49-3)23-19-28)36(45)26-41-38(46)34-16-10-8-14-32(34)33-15-9-11-17-35(33)39(47)42-37(27-12-6-5-7-13-27)40(48)44(2)29-20-24-31(50-4)25-21-29/h5-25,37H,26H2,1-4H3,(H,41,46)(H,42,47)/t37-/m0/s1
InChIKeyMOOXJVIZJLUWLT-QNGWXLTQSA-N
XLogP5.90
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide with MolForge

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Related Compounds

4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene
CID 145175953
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide (CID 134344803) is N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide is COc1ccc(N(C)C(=O)CNC(=O)c2ccccc2-c2ccccc2C(=O)N[C@H](C(=O)N(C)c2ccc(OC)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide?
The InChIKey is MOOXJVIZJLUWLT-QNGWXLTQSA-N. The full InChI is InChI=1S/C40H38N4O6/c1-43(28-18-22-30(49-3)23-19-28)36(45)26-41-38(46)34-16-10-8-14-32(34)33-15-9-11-17-35(33)39(47)42-37(27-12-6-5-7-13-27)40(48)44(2)29-20-24-31(50-4)25-21-29/h5-25,37H,26H2,1-4H3,(H,41,46)(H,42,47)/t37-/m0/s1.
What are the key properties of N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide?
N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide has a molecular weight of 670.77 g/mol, XLogP of 5.90, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-2-[2-[[(1S)-2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 134344803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).