N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide

C20H26N2O2 — CID 46735880

IUPACN-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C20H26N2O2/c1-4-14(3)17-8-6-7-9-19(17)24-18(5-2)20(23)22-16-12-10-15(21)11-13-16/h6-14,18H,4-5,21H2,1-3H3,(H,22,23)
InChIKeyHWIUHMFWKMYUMJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.58
Rot. Bonds7

About N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide

N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide (PubChem CID 46735880) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
PubChem CID46735880
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C20H26N2O2/c1-4-14(3)17-8-6-7-9-19(17)24-18(5-2)20(23)22-16-12-10-15(21)11-13-16/h6-14,18H,4-5,21H2,1-3H3,(H,22,23)
InChIKeyHWIUHMFWKMYUMJ-UHFFFAOYSA-N
XLogP4.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072
2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
CID 17150622
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
2-(2-butan-2-ylphenoxy)-N-[4-[4-[2-(2-butan-2-ylphenoxy)butanoylamino]-3-methylphenyl]-2-methylphenyl]butanamide
CID 23013474
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide (CID 46735880) is N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide?
The InChIKey is HWIUHMFWKMYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-14(3)17-8-6-7-9-19(17)24-18(5-2)20(23)22-16-12-10-15(21)11-13-16/h6-14,18H,4-5,21H2,1-3H3,(H,22,23).
What are the key properties of N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide?
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide has a molecular weight of 326.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide is sourced from PubChem (CID 46735880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).