2-(N-benzyl-4-methoxyanilino)-N-propylacetamide

C19H24N2O2 — CID 18166490

IUPAC2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-13-20-19(22)15-21(14-16-7-5-4-6-8-16)17-9-11-18(23-2)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyAHOPTNFWLJHIPQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.23
Rot. Bonds8

About 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide

2-(N-benzyl-4-methoxyanilino)-N-propylacetamide (PubChem CID 18166490) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
PubChem CID18166490
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-13-20-19(22)15-21(14-16-7-5-4-6-8-16)17-9-11-18(23-2)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyAHOPTNFWLJHIPQ-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 41479536
2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16610917
N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
CID 78825845
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849
2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132660834
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
CID 41479571

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide?
The IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide (CID 18166490) is 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide.
What is the SMILES notation for 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide?
The canonical SMILES for 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide is CCCNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide?
The InChIKey is AHOPTNFWLJHIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-13-20-19(22)15-21(14-16-7-5-4-6-8-16)17-9-11-18(23-2)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,20,22).
What are the key properties of 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide?
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-4-methoxyanilino)-N-propylacetamide is sourced from PubChem (CID 18166490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).