2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide

C21H26N2O2 — CID 125440907

IUPAC2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide
SMILESCc1ccc(OCC(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15-8-9-20(25-14-21(22)24)19(12-15)18-7-5-6-17(13-18)16(2)23-10-3-4-11-23/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H2,22,24)/t16-/m1/s1
InChIKeyDBKWQBMHIRXDSV-MRXNPFEDSA-N
MW338.45 g/mol
LogP3.68
Rot. Bonds6

About 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide

2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide (PubChem CID 125440907) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide
PubChem CID125440907
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide
SMILESCc1ccc(OCC(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15-8-9-20(25-14-21(22)24)19(12-15)18-7-5-6-17(13-18)16(2)23-10-3-4-11-23/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H2,22,24)/t16-/m1/s1
InChIKeyDBKWQBMHIRXDSV-MRXNPFEDSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
CID 95125725
1-ethyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122566893
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
2-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]benzamide
CID 72860190
2-[2-(2-fluoro-6-methoxyphenyl)-4-methylphenoxy]acetamide
CID 56717628
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
methyl 4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrrole-2-carboxylate
CID 95220274
N,N-dimethyl-2-[4-[(1R)-1-(3-methylphenyl)ethyl]-1,4-diazepan-1-yl]acetamide
CID 95899527
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide?
The IUPAC name of 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide (CID 125440907) is 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide is Cc1ccc(OCC(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)c1.
What is the InChIKey of 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide?
The InChIKey is DBKWQBMHIRXDSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-9-20(25-14-21(22)24)19(12-15)18-7-5-6-17(13-18)16(2)23-10-3-4-11-23/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H2,22,24)/t16-/m1/s1.
What are the key properties of 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide?
2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide is sourced from PubChem (CID 125440907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).