N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C16H24ClN3O3 — CID 2522322

IUPACN-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24ClN3O3/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-12-6-7-14(23-4)13(17)8-12/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyZSNPFVQWNBJOER-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.13
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 2522322) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID2522322
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24ClN3O3/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-12-6-7-14(23-4)13(17)8-12/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyZSNPFVQWNBJOER-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 2522322) is N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC(=O)NC(C)C.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is ZSNPFVQWNBJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-12-6-7-14(23-4)13(17)8-12/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 341.84 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 2522322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).