N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

C22H30N2O3 — CID 54820106

IUPACN-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O3/c1-5-17(4)27-21-8-6-7-19(13-21)24-22(25)14-23-18-9-11-20(12-10-18)26-15-16(2)3/h6-13,16-17,23H,5,14-15H2,1-4H3,(H,24,25)
InChIKeyVZUIUSHWOBKVCN-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.95
Rot. Bonds10

About N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (PubChem CID 54820106) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
PubChem CID54820106
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O3/c1-5-17(4)27-21-8-6-7-19(13-21)24-22(25)14-23-18-9-11-20(12-10-18)26-15-16(2)3/h6-13,16-17,23H,5,14-15H2,1-4H3,(H,24,25)
InChIKeyVZUIUSHWOBKVCN-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-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (CID 54820106) is N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is CCC(C)Oc1cccc(NC(=O)CNc2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The InChIKey is VZUIUSHWOBKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-17(4)27-21-8-6-7-19(13-21)24-22(25)14-23-18-9-11-20(12-10-18)26-15-16(2)3/h6-13,16-17,23H,5,14-15H2,1-4H3,(H,24,25).
What are the key properties of N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]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 N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54820106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).