N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide

C24H32N2O3 — CID 17204655

IUPACN-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-7-16(2)20-13-8-9-14-21(20)29-17(3)22(27)25-18-11-10-12-19(15-18)26-23(28)24(4,5)6/h8-17H,7H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyQWKCIZPFBSGRSF-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.59
Rot. Bonds7

About N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide

N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 17204655) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID17204655
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-7-16(2)20-13-8-9-14-21(20)29-17(3)22(27)25-18-11-10-12-19(15-18)26-23(28)24(4,5)6/h8-17H,7H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyQWKCIZPFBSGRSF-UHFFFAOYSA-N
XLogP5.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568
2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912158
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107
(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
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
2-(2-butan-2-ylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787234

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide (CID 17204655) is N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QWKCIZPFBSGRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-7-16(2)20-13-8-9-14-21(20)29-17(3)22(27)25-18-11-10-12-19(15-18)26-23(28)24(4,5)6/h8-17H,7H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide?
N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17204655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).