N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide

C26H29N3O3 — CID 55850982

IUPACN-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)CCCc2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-29(18-8-11-20-9-4-3-5-10-20)19-25(30)27-22-16-14-21(15-17-22)26(31)28-23-12-6-7-13-24(23)32-2/h3-7,9-10,12-17H,8,11,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXXDDYSHNEOSLPX-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.45
Rot. Bonds10

About N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide (PubChem CID 55850982) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
PubChem CID55850982
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)CCCc2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-29(18-8-11-20-9-4-3-5-10-20)19-25(30)27-22-16-14-21(15-17-22)26(31)28-23-12-6-7-13-24(23)32-2/h3-7,9-10,12-17H,8,11,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXXDDYSHNEOSLPX-UHFFFAOYSA-N
XLogP4.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4788052
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
4-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55843241
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56526790
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 17418297
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide (CID 55850982) is N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)CCCc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide?
The InChIKey is XXDDYSHNEOSLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-29(18-8-11-20-9-4-3-5-10-20)19-25(30)27-22-16-14-21(15-17-22)26(31)28-23-12-6-7-13-24(23)32-2/h3-7,9-10,12-17H,8,11,18-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 55850982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).