N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide

C21H26N2O3 — CID 54822286

IUPACN-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)14-25-20-7-5-6-18(12-20)23-21(24)13-22-17-8-10-19(11-9-17)26-16(3)4/h5-12,16,22H,1,13-14H2,2-4H3,(H,23,24)
InChIKeyOJYKMSGQPQODNZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.48
Rot. Bonds9

About N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide

N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 54822286) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID54822286
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)14-25-20-7-5-6-18(12-20)23-21(24)13-22-17-8-10-19(11-9-17)26-16(3)4/h5-12,16,22H,1,13-14H2,2-4H3,(H,23,24)
InChIKeyOJYKMSGQPQODNZ-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.48
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide (CID 54822286) is N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide is C=C(C)COc1cccc(NC(=O)CNc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is OJYKMSGQPQODNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)14-25-20-7-5-6-18(12-20)23-21(24)13-22-17-8-10-19(11-9-17)26-16(3)4/h5-12,16,22H,1,13-14H2,2-4H3,(H,23,24).
What are the key properties of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54822286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).