N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide

C24H26N2O3 — CID 54821466

IUPACN-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3/c1-26(19-20-8-4-2-5-9-20)24(27)18-25-21-12-14-23(15-13-21)29-17-16-28-22-10-6-3-7-11-22/h2-15,25H,16-19H2,1H3
InChIKeyCIUZBLXEKFKFNE-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.21
Rot. Bonds10

About N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide

N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54821466) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54821466
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3/c1-26(19-20-8-4-2-5-9-20)24(27)18-25-21-12-14-23(15-13-21)29-17-16-28-22-10-6-3-7-11-22/h2-15,25H,16-19H2,1H3
InChIKeyCIUZBLXEKFKFNE-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
CID 54824566
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide (CID 54821466) is N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide is CN(Cc1ccccc1)C(=O)CNc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is CIUZBLXEKFKFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-26(19-20-8-4-2-5-9-20)24(27)18-25-21-12-14-23(15-13-21)29-17-16-28-22-10-6-3-7-11-22/h2-15,25H,16-19H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide?
N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 390.48 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54821466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).