2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide

C22H30N2O3 — CID 54822042

IUPAC2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)CCOc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-16(2)13-14-26-19-11-9-18(10-12-19)23-15-22(25)24-20-7-5-6-8-21(20)27-17(3)4/h5-12,16-17,23H,13-15H2,1-4H3,(H,24,25)
InChIKeyPAISVWUKELCQBD-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.95
Rot. Bonds10

About 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 54822042) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID54822042
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)CCOc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H30N2O3/c1-16(2)13-14-26-19-11-9-18(10-12-19)23-15-22(25)24-20-7-5-6-8-21(20)27-17(3)4/h5-12,16-17,23H,13-15H2,1-4H3,(H,24,25)
InChIKeyPAISVWUKELCQBD-UHFFFAOYSA-N
XLogP4.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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'}

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2-(2-ethoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54817368
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 54822042) is 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)CCOc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is PAISVWUKELCQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(2)13-14-26-19-11-9-18(10-12-19)23-15-22(25)24-20-7-5-6-8-21(20)27-17(3)4/h5-12,16-17,23H,13-15H2,1-4H3,(H,24,25).
What are the key properties of 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54822042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).