N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide

C24H34N2O2 — CID 101340279

IUPACN-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide
SMILESCCC(CC)(CC)C(=O)N/C=C\c1cc(-c2ccccc2)n(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-7-24(8-2,9-3)22(28)25-16-15-19-17-20(18-13-11-10-12-14-18)26(21(19)27)23(4,5)6/h10-17,27H,7-9H2,1-6H3,(H,25,28)/b16-15-
InChIKeyVHXNUYWIMDPJCS-NXVVXOECSA-N
MW382.55 g/mol
LogP5.92
Rot. Bonds7

About N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide

N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide (PubChem CID 101340279) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide.

Molecular Properties

Compound NameN-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide
PubChem CID101340279
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide
SMILESCCC(CC)(CC)C(=O)N/C=C\c1cc(-c2ccccc2)n(C(C)(C)C)c1O
InChIInChI=1S/C24H34N2O2/c1-7-24(8-2,9-3)22(28)25-16-15-19-17-20(18-13-11-10-12-14-18)26(21(19)27)23(4,5)6/h10-17,27H,7-9H2,1-6H3,(H,25,28)/b16-15-
InChIKeyVHXNUYWIMDPJCS-NXVVXOECSA-N
XLogP5.92
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-1-Methyl-5-phenyl-3-[(phenylamino)methylidene]-2,3-dihydro-1H-pyrrol-2-one
CID 768812
(3E)-3-[(2-hydroxy-5-phenyl-1H-pyrrol-3-yl)methylidene]-6-methylquinolin-2-one
CID 155807895
(2R,3R)-3-(aminomethyl)-2-benzyl-2-(2,5-dihydroxypyrrol-1-yl)-4-hydroxy-N,3-dimethylbutanamide
CID 57288599
1-[1-[4-Tert-butyl-1-(4-ethylphenyl)-2,5-dihydroxypyrrol-3-yl]-3,3-dimethylbutyl]pyrrolidin-2-one
CID 90780543
1-[1-(4-Tert-butyl-2,5-dihydroxy-1-phenylpyrrol-3-yl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 90930885
N-[2-[acetyl(methyl)amino]phenyl]-4-[3-(3-ethyl-2-methylpentan-3-yl)-2,5-dihydroxypyrrol-1-yl]butanamide
CID 91027853
1-[2-Hydroxy-5-[(4-phenylphenyl)methyl]pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 91378685
2-Hydroxy-12-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),7,11-tetraen-9-one
CID 140403021
3-{[(Tert-butyl)amino]methylene}-1-methyl-5-phenylazolin-2-one
CID 4108351
(2S)-2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 61156311
3-[1-[(1,2,5-Trimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 62475129
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 76893798

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide?
The IUPAC name of N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide (CID 101340279) is N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide.
What is the SMILES notation for N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide?
The canonical SMILES for N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide is CCC(CC)(CC)C(=O)N/C=C\c1cc(-c2ccccc2)n(C(C)(C)C)c1O.
What is the InChIKey of N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide?
The InChIKey is VHXNUYWIMDPJCS-NXVVXOECSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-7-24(8-2,9-3)22(28)25-16-15-19-17-20(18-13-11-10-12-14-18)26(21(19)27)23(4,5)6/h10-17,27H,7-9H2,1-6H3,(H,25,28)/b16-15-.
What are the key properties of N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide?
N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide has a molecular weight of 382.55 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(1-tert-butyl-2-hydroxy-5-phenylpyrrol-3-yl)ethenyl]-2,2-diethylbutanamide is sourced from PubChem (CID 101340279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).