N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide

C21H28N2O2 — CID 24763223

IUPACN-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide
SMILESCC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)
InChIKeyVJIVACBGAAEDPS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.66
Rot. Bonds10

About N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide

N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide (PubChem CID 24763223) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide
PubChem CID24763223
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide
SMILESCC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)
InChIKeyVJIVACBGAAEDPS-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide?
The IUPAC name of N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide (CID 24763223) is N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide.
What is the SMILES notation for N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide?
The canonical SMILES for N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide is CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1.
What is the InChIKey of N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide?
The InChIKey is VJIVACBGAAEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide?
N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-methyl-3-(4-phenylbutoxy)anilino]ethyl]acetamide is sourced from PubChem (CID 24763223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).