N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C16H24BrN3O2 — CID 4879603

IUPACN-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24BrN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-6-7-14(17)12(4)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyYLPGZDUKZWPPHI-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.54
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 4879603) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID4879603
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24BrN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-6-7-14(17)12(4)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyYLPGZDUKZWPPHI-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 4879603) is N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(=O)NC(C)C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is YLPGZDUKZWPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-6-7-14(17)12(4)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 370.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 4879603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).