N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide

C20H24ClN3O3 — CID 4883961

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-14(15-7-5-4-6-8-15)22-19(25)12-24(2)13-20(26)23-17-11-16(21)9-10-18(17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNBIYGUZEDOURCT-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.10
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide (PubChem CID 4883961) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide
PubChem CID4883961
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-14(15-7-5-4-6-8-15)22-19(25)12-24(2)13-20(26)23-17-11-16(21)9-10-18(17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNBIYGUZEDOURCT-UHFFFAOYSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide (CID 4883961) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide?
The InChIKey is NBIYGUZEDOURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14(15-7-5-4-6-8-15)22-19(25)12-24(2)13-20(26)23-17-11-16(21)9-10-18(17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide has a molecular weight of 389.88 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide is sourced from PubChem (CID 4883961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).