2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide

C21H28N2O3 — CID 54820125

IUPAC2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
SMILESCCCCOc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C21H28N2O3/c1-3-5-14-26-19-11-9-17(10-12-19)22-16-21(24)23-18-7-6-8-20(15-18)25-13-4-2/h6-12,15,22H,3-5,13-14,16H2,1-2H3,(H,23,24)
InChIKeyJGVKNHLBCZGEPO-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.70
Rot. Bonds11

About 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide

2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide (PubChem CID 54820125) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
PubChem CID54820125
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
SMILESCCCCOc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C21H28N2O3/c1-3-5-14-26-19-11-9-17(10-12-19)22-16-21(24)23-18-7-6-8-20(15-18)25-13-4-2/h6-12,15,22H,3-5,13-14,16H2,1-2H3,(H,23,24)
InChIKeyJGVKNHLBCZGEPO-UHFFFAOYSA-N
XLogP4.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
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

N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide (CID 54820125) is 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide is CCCCOc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1.
What is the InChIKey of 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide?
The InChIKey is JGVKNHLBCZGEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-5-14-26-19-11-9-17(10-12-19)22-16-21(24)23-18-7-6-8-20(15-18)25-13-4-2/h6-12,15,22H,3-5,13-14,16H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide?
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 54820125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).