2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide

C15H24N2O — CID 112687095

IUPAC2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cccc(C)c1C
InChIInChI=1S/C15H24N2O/c1-5-17(6-2)15(18)11-16-10-14-9-7-8-12(3)13(14)4/h7-9,16H,5-6,10-11H2,1-4H3
InChIKeyPOKKDQOTBSEACU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds6

About 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide

2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide (PubChem CID 112687095) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide
PubChem CID112687095
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1cccc(C)c1C
InChIInChI=1S/C15H24N2O/c1-5-17(6-2)15(18)11-16-10-14-9-7-8-12(3)13(14)4/h7-9,16H,5-6,10-11H2,1-4H3
InChIKeyPOKKDQOTBSEACU-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
CID 112554364
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
CID 104854061
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
tert-butyl N-[3-[(2,3-dimethylphenyl)methylamino]propyl]-N-ethylcarbamate
CID 107242777
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylphenyl)acetamide
CID 115745516
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide (CID 112687095) is 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1cccc(C)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide?
The InChIKey is POKKDQOTBSEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-17(6-2)15(18)11-16-10-14-9-7-8-12(3)13(14)4/h7-9,16H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide?
2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 112687095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).