N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide

C22H28N2O3 — CID 19746506

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C(CN2CCC(O)C2)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-23(22(26)14-17-8-10-20(27-2)11-9-17)21(18-6-4-3-5-7-18)16-24-13-12-19(25)15-24/h3-11,19,21,25H,12-16H2,1-2H3
InChIKeyWBLMDEJDOBMFJA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide

N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 19746506) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide
PubChem CID19746506
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C(CN2CCC(O)C2)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-23(22(26)14-17-8-10-20(27-2)11-9-17)21(18-6-4-3-5-7-18)16-24-13-12-19(25)15-24/h3-11,19,21,25H,12-16H2,1-2H3
InChIKeyWBLMDEJDOBMFJA-UHFFFAOYSA-N
XLogP2.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AC-90179
CID 9799308
(R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2,3-dihydrobenzofuran-2-carboxamide
CID 23567109
(2S)-N-[(2S,3R)-4-[[(8S,11S)-8-[(2R)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56675043
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
2-[3-Hydroxy-1-(4-methoxyphenyl)propyl]-1-isoindolinone
CID 3775723
1-[4-[(2-Methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 742502
3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573197
(S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2,3-dihydrobenzofuran-2-carboxamide
CID 23567127
(R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methylchroman-2-carboxamide
CID 44405139
(S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methylchroman-2-carboxamide
CID 44405144
N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylacetamide
CID 69925894

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide (CID 19746506) is N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)C(CN2CCC(O)C2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is WBLMDEJDOBMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(22(26)14-17-8-10-20(27-2)11-9-17)21(18-6-4-3-5-7-18)16-24-13-12-19(25)15-24/h3-11,19,21,25H,12-16H2,1-2H3.
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide?
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 368.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 19746506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).