2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide

C23H30N2O3 — CID 43915072

IUPAC2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(CC(=O)NC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-16(3)19-9-7-8-10-21(19)28-20(6-2)23(27)25-18-13-11-17(12-14-18)15-22(26)24-4/h7-14,16,20H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyIHHQCFOMNHRKDF-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.28
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide

2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide (PubChem CID 43915072) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
PubChem CID43915072
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(CC(=O)NC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-16(3)19-9-7-8-10-21(19)28-20(6-2)23(27)25-18-13-11-17(12-14-18)15-22(26)24-4/h7-14,16,20H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyIHHQCFOMNHRKDF-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
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-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
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-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide (CID 43915072) is 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(CC(=O)NC)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The InChIKey is IHHQCFOMNHRKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-16(3)19-9-7-8-10-21(19)28-20(6-2)23(27)25-18-13-11-17(12-14-18)15-22(26)24-4/h7-14,16,20H,5-6,15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 43915072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).