2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide

C27H30N4O3 — CID 55411601

IUPAC2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C27H30N4O3/c1-4-20-11-5-7-14-23(20)29-25(32)17-31(3)18-26(33)30-24-15-8-6-13-22(24)27(34)28-21-12-9-10-19(2)16-21/h5-16H,4,17-18H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)
InChIKeyLRBRHQAGXCCOOJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.32
Rot. Bonds9

About 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 55411601) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID55411601
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C27H30N4O3/c1-4-20-11-5-7-14-23(20)29-25(32)17-31(3)18-26(33)30-24-15-8-6-13-22(24)27(34)28-21-12-9-10-19(2)16-21/h5-16H,4,17-18H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)
InChIKeyLRBRHQAGXCCOOJ-UHFFFAOYSA-N
XLogP4.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide with MolForge

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Related Compounds

2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
2-[[2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 25485284
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8804593
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 47020960
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 135706234
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 86942994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 55411601) is 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is LRBRHQAGXCCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-4-20-11-5-7-14-23(20)29-25(32)17-31(3)18-26(33)30-24-15-8-6-13-22(24)27(34)28-21-12-9-10-19(2)16-21/h5-16H,4,17-18H2,1-3H3,(H,28,34)(H,29,32)(H,30,33).
What are the key properties of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 55411601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).