2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide

C26H29N3O3 — CID 86942994

IUPAC2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN(CCO)CCc2ccccc2)c1
InChIInChI=1S/C26H29N3O3/c1-20-8-7-11-22(18-20)27-26(32)23-12-5-6-13-24(23)28-25(31)19-29(16-17-30)15-14-21-9-3-2-4-10-21/h2-13,18,30H,14-17,19H2,1H3,(H,27,32)(H,28,31)
InChIKeyRWJPPPMGCZGAAX-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.72
Rot. Bonds10

About 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 86942994) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID86942994
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN(CCO)CCc2ccccc2)c1
InChIInChI=1S/C26H29N3O3/c1-20-8-7-11-22(18-20)27-26(32)23-12-5-6-13-24(23)28-25(31)19-29(16-17-30)15-14-21-9-3-2-4-10-21/h2-13,18,30H,14-17,19H2,1H3,(H,27,32)(H,28,31)
InChIKeyRWJPPPMGCZGAAX-UHFFFAOYSA-N
XLogP3.72
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 47020960
2-[[2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 25485284
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8804593
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
CID 24555317
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 86942994) is 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(CCO)CCc2ccccc2)c1.
What is the InChIKey of 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is RWJPPPMGCZGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-20-8-7-11-22(18-20)27-26(32)23-12-5-6-13-24(23)28-25(31)19-29(16-17-30)15-14-21-9-3-2-4-10-21/h2-13,18,30H,14-17,19H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 86942994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).