2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide

C24H32N4O3 — CID 42913741

IUPAC2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1)CC(=O)NC(C)C
InChIInChI=1S/C24H32N4O3/c1-5-28(15-22(29)25-17(2)3)16-23(30)27-21-14-10-9-13-20(21)24(31)26-18(4)19-11-7-6-8-12-19/h6-14,17-18H,5,15-16H2,1-4H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyTUZJYROMFHINOJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.96
Rot. Bonds10

About 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 42913741) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID42913741
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1)CC(=O)NC(C)C
InChIInChI=1S/C24H32N4O3/c1-5-28(15-22(29)25-17(2)3)16-23(30)27-21-14-10-9-13-20(21)24(31)26-18(4)19-11-7-6-8-12-19/h6-14,17-18H,5,15-16H2,1-4H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyTUZJYROMFHINOJ-UHFFFAOYSA-N
XLogP2.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17201173
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 42913741) is 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide is CCN(CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1)CC(=O)NC(C)C.
What is the InChIKey of 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is TUZJYROMFHINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-28(15-22(29)25-17(2)3)16-23(30)27-21-14-10-9-13-20(21)24(31)26-18(4)19-11-7-6-8-12-19/h6-14,17-18H,5,15-16H2,1-4H3,(H,25,29)(H,26,31)(H,27,30).
What are the key properties of 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42913741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).