N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane

C41H56N4O8 — CID 91562897

IUPACN-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
SMILESCC.CC.CC.CC.COc1cccc(C(=O)Nc2c(OC)cccc2C(=O)Nc2c(OC)cccc2C(=O)Nc2c(OC)cccc2C(C)=O)c1N
InChIInChI=1S/C33H32N4O8.4C2H6/c1-18(38)19-10-6-15-24(43-3)28(19)35-32(40)22-13-9-17-26(45-5)30(22)37-33(41)21-12-8-16-25(44-4)29(21)36-31(39)20-11-7-14-23(42-2)27(20)34;4*1-2/h6-17H,34H2,1-5H3,(H,35,40)(H,36,39)(H,37,41);4*1-2H3
InChIKeyLUMWYDCYASDBCP-UHFFFAOYSA-N
MW732.92 g/mol
LogP9.37
Rot. Bonds11

About N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane

N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane (PubChem CID 91562897) has the molecular formula C41H56N4O8 and a molecular weight of 732.92 g/mol. Its IUPAC name is N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane.

Molecular Properties

Compound NameN-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
PubChem CID91562897
Molecular FormulaC41H56N4O8
Molecular Weight732.92 g/mol
Exact Mass732.41
IUPAC NameN-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
SMILESCC.CC.CC.CC.COc1cccc(C(=O)Nc2c(OC)cccc2C(=O)Nc2c(OC)cccc2C(=O)Nc2c(OC)cccc2C(C)=O)c1N
InChIInChI=1S/C33H32N4O8.4C2H6/c1-18(38)19-10-6-15-24(43-3)28(19)35-32(40)22-13-9-17-26(45-5)30(22)37-33(41)21-12-8-16-25(44-4)29(21)36-31(39)20-11-7-14-23(42-2)27(20)34;4*1-2/h6-17H,34H2,1-5H3,(H,35,40)(H,36,39)(H,37,41);4*1-2H3
InChIKeyLUMWYDCYASDBCP-UHFFFAOYSA-N
XLogP9.37
TPSA167.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.92
LogP ≤ 59.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
2-amino-3-methoxy-N-thiophen-3-ylbenzamide
CID 66352284
1-[2-(chloroamino)-3-methoxyphenyl]ethanone
CID 174727261
ethane;3-methoxy-2-[[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoic acid
CID 91202780
ethane;methyl 2-(2-amino-3-methoxyphenyl)-2-oxoacetate
CID 145133891
2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
CID 107623964
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
2-amino-3-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79352012
2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
CID 103093876
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide
CID 102852353
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane?
The IUPAC name of N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane (CID 91562897) is N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane.
What is the SMILES notation for N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane?
The canonical SMILES for N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane is CC.CC.CC.CC.COc1cccc(C(=O)Nc2c(OC)cccc2C(=O)Nc2c(OC)cccc2C(=O)Nc2c(OC)cccc2C(C)=O)c1N.
What is the InChIKey of N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane?
The InChIKey is LUMWYDCYASDBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O8.4C2H6/c1-18(38)19-10-6-15-24(43-3)28(19)35-32(40)22-13-9-17-26(45-5)30(22)37-33(41)21-12-8-16-25(44-4)29(21)36-31(39)20-11-7-14-23(42-2)27(20)34;4*1-2/h6-17H,34H2,1-5H3,(H,35,40)(H,36,39)(H,37,41);4*1-2H3.
What are the key properties of N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane?
N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane has a molecular weight of 732.92 g/mol, XLogP of 9.37, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane is sourced from PubChem (CID 91562897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).