N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide

C21H24N2O3 — CID 166623373

IUPACN-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccc(O)cc3)C2)c(C)c1
InChIInChI=1S/C21H24N2O3/c1-14-11-18(22-15(2)24)5-8-20(14)21(26)23-10-9-17(13-23)12-16-3-6-19(25)7-4-16/h3-8,11,17,25H,9-10,12-13H2,1-2H3,(H,22,24)
InChIKeyQGMPWIHLCBPTEI-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds4

About N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide

N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide (PubChem CID 166623373) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide
PubChem CID166623373
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccc(O)cc3)C2)c(C)c1
InChIInChI=1S/C21H24N2O3/c1-14-11-18(22-15(2)24)5-8-20(14)21(26)23-10-9-17(13-23)12-16-3-6-19(25)7-4-16/h3-8,11,17,25H,9-10,12-13H2,1-2H3,(H,22,24)
InChIKeyQGMPWIHLCBPTEI-UHFFFAOYSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
4-[[1-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70733490
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
6-ethyl-3-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-1,5-dimethylpyridin-2-one
CID 72888481
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 102964750
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide (CID 166623373) is N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccc(O)cc3)C2)c(C)c1.
What is the InChIKey of N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide?
The InChIKey is QGMPWIHLCBPTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-11-18(22-15(2)24)5-8-20(14)21(26)23-10-9-17(13-23)12-16-3-6-19(25)7-4-16/h3-8,11,17,25H,9-10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide?
N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 166623373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).