2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide

C25H35NO2 — CID 57085661

IUPAC2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
SMILESCCC(C)(C)c1ccc(OC(C)C(=O)Nc2ccccc2)c(C(C)(C)CC)c1
InChIInChI=1S/C25H35NO2/c1-8-24(4,5)19-15-16-22(21(17-19)25(6,7)9-2)28-18(3)23(27)26-20-13-11-10-12-14-20/h10-18H,8-9H2,1-7H3,(H,26,27)
InChIKeySYWAIYHMEQYJBF-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.47
Rot. Bonds8

About 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide (PubChem CID 57085661) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
PubChem CID57085661
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
SMILESCCC(C)(C)c1ccc(OC(C)C(=O)Nc2ccccc2)c(C(C)(C)CC)c1
InChIInChI=1S/C25H35NO2/c1-8-24(4,5)19-15-16-22(21(17-19)25(6,7)9-2)28-18(3)23(27)26-20-13-11-10-12-14-20/h10-18H,8-9H2,1-7H3,(H,26,27)
InChIKeySYWAIYHMEQYJBF-UHFFFAOYSA-N
XLogP6.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-methyl-N-[3-(phenacylamino)phenyl]butanamide
CID 54561887
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
CID 163614465
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
3-[3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]phenyl]-2-methoxy-3-oxo-N-phenylpropanamide
CID 22765488
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[6-ethoxy-7-(4-hydroxyphenyl)iminopyrazolo[5,1-c][1,2,4]triazol-3-yl]phenyl]propanamide
CID 135722072
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
(2S)-N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 92846699
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
CID 14670499
N-[4-[[4-(aminomethyl)phenyl]carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]propanamide
CID 20703013
1-O-[2,4-bis(2-methylbutan-2-yl)phenyl] 2-O-[2-(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate
CID 21340048
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
CID 63325502
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide?
The IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide (CID 57085661) is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide?
The canonical SMILES for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide is CCC(C)(C)c1ccc(OC(C)C(=O)Nc2ccccc2)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide?
The InChIKey is SYWAIYHMEQYJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-8-24(4,5)19-15-16-22(21(17-19)25(6,7)9-2)28-18(3)23(27)26-20-13-11-10-12-14-20/h10-18H,8-9H2,1-7H3,(H,26,27).
What are the key properties of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide?
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide has a molecular weight of 381.56 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide is sourced from PubChem (CID 57085661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).