N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide

C15H24N2O — CID 126626051

IUPACN,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide
SMILESCCC(CC)c1ccc(NCC(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-5-12(6-2)13-7-9-14(10-8-13)16-11-15(18)17(3)4/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyPYOJMHAXTFIFQH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.09
Rot. Bonds6

About N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide

N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide (PubChem CID 126626051) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide
PubChem CID126626051
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide
SMILESCCC(CC)c1ccc(NCC(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-5-12(6-2)13-7-9-14(10-8-13)16-11-15(18)17(3)4/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyPYOJMHAXTFIFQH-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
CID 71997880
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
N-ethyl-2-(4-ethylanilino)-N-methylacetamide
CID 43309649
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide (CID 126626051) is N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide is CCC(CC)c1ccc(NCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide?
The InChIKey is PYOJMHAXTFIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12(6-2)13-7-9-14(10-8-13)16-11-15(18)17(3)4/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide?
N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide has a molecular weight of 248.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide is sourced from PubChem (CID 126626051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).