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

C21H28N2O3 — CID 54828232

IUPAC2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C21H28N2O3/c1-3-5-15-26-20-9-7-6-8-19(20)22-16-21(24)23-17-10-12-18(13-11-17)25-14-4-2/h6-13,22H,3-5,14-16H2,1-2H3,(H,23,24)
InChIKeyYQRKRORFLFXHPV-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.70
Rot. Bonds11

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

2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide (PubChem CID 54828232) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
PubChem CID54828232
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C21H28N2O3/c1-3-5-15-26-20-9-7-6-8-19(20)22-16-21(24)23-17-10-12-18(13-11-17)25-14-4-2/h6-13,22H,3-5,14-16H2,1-2H3,(H,23,24)
InChIKeyYQRKRORFLFXHPV-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
CID 54811984
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide (CID 54828232) is 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide is CCCCOc1ccccc1NCC(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide?
The InChIKey is YQRKRORFLFXHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-5-15-26-20-9-7-6-8-19(20)22-16-21(24)23-17-10-12-18(13-11-17)25-14-4-2/h6-13,22H,3-5,14-16H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide?
2-(2-butoxyanilino)-N-(4-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-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 54828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).