2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C24H30N2O3 — CID 46490501

IUPAC2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H30N2O3/c1-17(29-21-8-5-7-19(15-21)24(2,3)4)23(28)25-16-18-10-12-20(13-11-18)26-14-6-9-22(26)27/h5,7-8,10-13,15,17H,6,9,14,16H2,1-4H3,(H,25,28)
InChIKeyYHENBZSQAUXRGY-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.19
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 46490501) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID46490501
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H30N2O3/c1-17(29-21-8-5-7-19(15-21)24(2,3)4)23(28)25-16-18-10-12-20(13-11-18)26-14-6-9-22(26)27/h5,7-8,10-13,15,17H,6,9,14,16H2,1-4H3,(H,25,28)
InChIKeyYHENBZSQAUXRGY-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 43077961
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55780106
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 46490501) is 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is CC(Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is YHENBZSQAUXRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(29-21-8-5-7-19(15-21)24(2,3)4)23(28)25-16-18-10-12-20(13-11-18)26-14-6-9-22(26)27/h5,7-8,10-13,15,17H,6,9,14,16H2,1-4H3,(H,25,28).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 46490501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).