N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

C22H30N2O3 — CID 54820437

IUPACN-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCCCCOc1ccccc1NC(=O)CNc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-4-5-14-26-21-9-7-6-8-20(21)24-22(25)15-23-18-10-12-19(13-11-18)27-16-17(2)3/h6-13,17,23H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyPYWKDJDUKVHAGJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.95
Rot. Bonds11

About N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (PubChem CID 54820437) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
PubChem CID54820437
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCCCCOc1ccccc1NC(=O)CNc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-4-5-14-26-21-9-7-6-8-20(21)24-22(25)15-23-18-10-12-19(13-11-18)27-16-17(2)3/h6-13,17,23H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyPYWKDJDUKVHAGJ-UHFFFAOYSA-N
XLogP4.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.95
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-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840638
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
propyl 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54812902
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (CID 54820437) is N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is CCCCOc1ccccc1NC(=O)CNc1ccc(OCC(C)C)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The InChIKey is PYWKDJDUKVHAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-5-14-26-21-9-7-6-8-20(21)24-22(25)15-23-18-10-12-19(13-11-18)27-16-17(2)3/h6-13,17,23H,4-5,14-16H2,1-3H3,(H,24,25).
What are the key properties of N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54820437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).