N-[2-(2,5-dimethylanilino)ethyl]acetamide

C12H18N2O — CID 103604085

IUPACN-[2-(2,5-dimethylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)ccc1C
InChIInChI=1S/C12H18N2O/c1-9-4-5-10(2)12(8-9)14-7-6-13-11(3)15/h4-5,8,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyPSWQGNFKHKCWLX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(2,5-dimethylanilino)ethyl]acetamide

N-[2-(2,5-dimethylanilino)ethyl]acetamide (PubChem CID 103604085) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)ethyl]acetamide
PubChem CID103604085
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[2-(2,5-dimethylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)ccc1C
InChIInChI=1S/C12H18N2O/c1-9-4-5-10(2)12(8-9)14-7-6-13-11(3)15/h4-5,8,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyPSWQGNFKHKCWLX-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide
CID 68565424
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide
CID 107530150
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-(4-bromo-5-fluoro-2-methylanilino)ethyl]acetamide
CID 107530080
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
(2,5-dimethylanilino)methanesulfonic acid
CID 3019008
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)ethyl]acetamide (CID 103604085) is N-[2-(2,5-dimethylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)ethyl]acetamide is CC(=O)NCCNc1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylanilino)ethyl]acetamide?
The InChIKey is PSWQGNFKHKCWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-5-10(2)12(8-9)14-7-6-13-11(3)15/h4-5,8,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(2,5-dimethylanilino)ethyl]acetamide?
N-[2-(2,5-dimethylanilino)ethyl]acetamide has a molecular weight of 206.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)ethyl]acetamide is sourced from PubChem (CID 103604085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).