N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide

C20H25N3O3 — CID 54828105

IUPACN-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C20H25N3O3/c1-3-4-12-26-19-11-6-5-10-18(19)21-14-20(25)23-17-9-7-8-16(13-17)22-15(2)24/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWQRVROIBDZHCOX-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds9

About N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide

N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide (PubChem CID 54828105) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
PubChem CID54828105
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C20H25N3O3/c1-3-4-12-26-19-11-6-5-10-18(19)21-14-20(25)23-17-9-7-8-16(13-17)22-15(2)24/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWQRVROIBDZHCOX-UHFFFAOYSA-N
XLogP3.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
CID 54827782
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-(3-acetamidoanilino)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54831775
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide (CID 54828105) is N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide is CCCCOc1ccccc1NCC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide?
The InChIKey is WQRVROIBDZHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-4-12-26-19-11-6-5-10-18(19)21-14-20(25)23-17-9-7-8-16(13-17)22-15(2)24/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide?
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide is sourced from PubChem (CID 54828105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).