N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide

C22H28N2O4 — CID 32765837

IUPACN-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)21(26)23-15-7-10-20(25)24-16-11-13-17(14-12-16)28-19-9-6-5-8-18(19)27-4/h5-6,8-9,11-14H,7,10,15H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyXXAXVQMUNBUIND-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.37
Rot. Bonds8

About N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 32765837) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID32765837
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)21(26)23-15-7-10-20(25)24-16-11-13-17(14-12-16)28-19-9-6-5-8-18(19)27-4/h5-6,8-9,11-14H,7,10,15H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyXXAXVQMUNBUIND-UHFFFAOYSA-N
XLogP4.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
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-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18227129
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 32765837) is N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide is COc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is XXAXVQMUNBUIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)21(26)23-15-7-10-20(25)24-16-11-13-17(14-12-16)28-19-9-6-5-8-18(19)27-4/h5-6,8-9,11-14H,7,10,15H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 384.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 32765837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).