N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide

C20H26N2O2 — CID 54823902

IUPACN-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESCCC(C)NC(=O)CNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)22-20(23)15-21-18-9-11-19(12-10-18)24-14-13-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,22,23)
InChIKeyRSUGJHNMXIITGL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.63
Rot. Bonds9

About N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide

N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide (PubChem CID 54823902) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
PubChem CID54823902
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESCCC(C)NC(=O)CNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)22-20(23)15-21-18-9-11-19(12-10-18)24-14-13-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,22,23)
InChIKeyRSUGJHNMXIITGL-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
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

N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828601
2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54823876
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-pentan-2-yl-2-(4-propoxyanilino)acetamide
CID 62328507
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
CID 54823733

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide (CID 54823902) is N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide is CCC(C)NC(=O)CNc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide?
The InChIKey is RSUGJHNMXIITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-16(2)22-20(23)15-21-18-9-11-19(12-10-18)24-14-13-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,22,23).
What are the key properties of N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide?
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide is sourced from PubChem (CID 54823902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).