2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide

C20H26N2O2 — CID 54820323

IUPAC2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCCCCOc1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-4-14-24-19-12-10-18(11-13-19)21-15-20(23)22-16(2)17-8-6-5-7-9-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,22,23)
InChIKeyWECXYRUPEHFWPR-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.15
Rot. Bonds9

About 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide

2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide (PubChem CID 54820323) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
PubChem CID54820323
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCCCCOc1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-4-14-24-19-12-10-18(11-13-19)21-15-20(23)22-16(2)17-8-6-5-7-9-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,22,23)
InChIKeyWECXYRUPEHFWPR-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-phenylethyl)acetamide
CID 54810260
3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842100
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide
CID 54815004
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
2-[4-(2-methoxyethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54822434
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
N-pentan-2-yl-2-(4-propoxyanilino)acetamide
CID 62328507
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54823876

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide (CID 54820323) is 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide is CCCCOc1ccc(NCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is WECXYRUPEHFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-4-14-24-19-12-10-18(11-13-19)21-15-20(23)22-16(2)17-8-6-5-7-9-17/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide?
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 54820323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).