2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C18H29N3O2 — CID 51224203

IUPAC2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)CC(=O)NC(C)C)cc1C
InChIInChI=1S/C18H29N3O2/c1-12(2)19-17(22)10-21(6)11-18(23)20-15(5)16-8-7-13(3)14(4)9-16/h7-9,12,15H,10-11H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyMFNMTKFERJUVCJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.94
Rot. Bonds7

About 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 51224203) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID51224203
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)CC(=O)NC(C)C)cc1C
InChIInChI=1S/C18H29N3O2/c1-12(2)19-17(22)10-21(6)11-18(23)20-15(5)16-8-7-13(3)14(4)9-16/h7-9,12,15H,10-11H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyMFNMTKFERJUVCJ-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 51224203) is 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is Cc1ccc(C(C)NC(=O)CN(C)CC(=O)NC(C)C)cc1C.
What is the InChIKey of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MFNMTKFERJUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12(2)19-17(22)10-21(6)11-18(23)20-15(5)16-8-7-13(3)14(4)9-16/h7-9,12,15H,10-11H2,1-6H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 319.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 51224203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).