2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide

C18H30N2O2 — CID 54823859

IUPAC2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-5-10-20(11-6-2)18(21)13-19-16-8-7-9-17(12-16)22-14-15(3)4/h7-9,12,15,19H,5-6,10-11,13-14H2,1-4H3
InChIKeyDXAMKGFKSDCRJA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.78
Rot. Bonds10

About 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide

2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide (PubChem CID 54823859) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
PubChem CID54823859
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-5-10-20(11-6-2)18(21)13-19-16-8-7-9-17(12-16)22-14-15(3)4/h7-9,12,15,19H,5-6,10-11,13-14H2,1-4H3
InChIKeyDXAMKGFKSDCRJA-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831572
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide?
The IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide (CID 54823859) is 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1cccc(OCC(C)C)c1.
What is the InChIKey of 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide?
The InChIKey is DXAMKGFKSDCRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-10-20(11-6-2)18(21)13-19-16-8-7-9-17(12-16)22-14-15(3)4/h7-9,12,15,19H,5-6,10-11,13-14H2,1-4H3.
What are the key properties of 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide?
2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide has a molecular weight of 306.45 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide is sourced from PubChem (CID 54823859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).