N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide

C18H27ClN4O3 — CID 8906660

IUPACN-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H27ClN4O3/c1-5-23(11-17(25)20-13(2)3)12-18(26)22(4)10-16(24)21-15-9-7-6-8-14(15)19/h6-9,13H,5,10-12H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyVJPUXQARHCHKNW-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.58
Rot. Bonds9

About N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide (PubChem CID 8906660) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
PubChem CID8906660
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC NameN-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H27ClN4O3/c1-5-23(11-17(25)20-13(2)3)12-18(26)22(4)10-16(24)21-15-9-7-6-8-14(15)19/h6-9,13H,5,10-12H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyVJPUXQARHCHKNW-UHFFFAOYSA-N
XLogP1.58
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(2-chlorophenyl)-2-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 27095557
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55827200
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide (CID 8906660) is N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide is CCN(CC(=O)NC(C)C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide?
The InChIKey is VJPUXQARHCHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O3/c1-5-23(11-17(25)20-13(2)3)12-18(26)22(4)10-16(24)21-15-9-7-6-8-14(15)19/h6-9,13H,5,10-12H2,1-4H3,(H,20,25)(H,21,24).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide has a molecular weight of 382.89 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 8906660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).