2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide

C14H22ClN3O — CID 71047434

IUPAC2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide
SMILESCCN(CCN(C)CC(N)=O)c1cc(Cl)ccc1C
InChIInChI=1S/C14H22ClN3O/c1-4-18(8-7-17(3)10-14(16)19)13-9-12(15)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H2,16,19)
InChIKeySXOBEMHEPLNPDC-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.89
Rot. Bonds7

About 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide

2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide (PubChem CID 71047434) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide
PubChem CID71047434
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide
SMILESCCN(CCN(C)CC(N)=O)c1cc(Cl)ccc1C
InChIInChI=1S/C14H22ClN3O/c1-4-18(8-7-17(3)10-14(16)19)13-9-12(15)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H2,16,19)
InChIKeySXOBEMHEPLNPDC-UHFFFAOYSA-N
XLogP1.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide?
The IUPAC name of 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide (CID 71047434) is 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide?
The canonical SMILES for 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide is CCN(CCN(C)CC(N)=O)c1cc(Cl)ccc1C.
What is the InChIKey of 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide?
The InChIKey is SXOBEMHEPLNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-18(8-7-17(3)10-14(16)19)13-9-12(15)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H2,16,19).
What are the key properties of 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide?
2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide has a molecular weight of 283.80 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-N-ethyl-2-methylanilino)ethyl-methylamino]acetamide is sourced from PubChem (CID 71047434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).