2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide

C24H32N2O3 — CID 43912158

IUPAC2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-6-17(2)21-12-7-8-13-22(21)29-18(3)24(28)25-20-11-9-10-19(16-20)14-15-23(27)26(4)5/h7-13,16-18H,6,14-15H2,1-5H3,(H,25,28)
InChIKeyUTJPYWHXTGXEBD-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.63
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide

2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide (PubChem CID 43912158) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
PubChem CID43912158
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-6-17(2)21-12-7-8-13-22(21)29-18(3)24(28)25-20-11-9-10-19(16-20)14-15-23(27)26(4)5/h7-13,16-18H,6,14-15H2,1-5H3,(H,25,28)
InChIKeyUTJPYWHXTGXEBD-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 17204655
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912153
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide (CID 43912158) is 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
The InChIKey is UTJPYWHXTGXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-6-17(2)21-12-7-8-13-22(21)29-18(3)24(28)25-20-11-9-10-19(16-20)14-15-23(27)26(4)5/h7-13,16-18H,6,14-15H2,1-5H3,(H,25,28).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide is sourced from PubChem (CID 43912158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).