N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide

C18H28N2O2 — CID 166072006

IUPACN-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
SMILESCOc1c(C)cccc1C(C)(C)NC(=O)C[C@H]1CCCN1C
InChIInChI=1S/C18H28N2O2/c1-13-8-6-10-15(17(13)22-5)18(2,3)19-16(21)12-14-9-7-11-20(14)4/h6,8,10,14H,7,9,11-12H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyMHICYTYCLVYLCB-CQSZACIVSA-N
MW304.43 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide

N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166072006) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166072006
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
SMILESCOc1c(C)cccc1C(C)(C)NC(=O)C[C@H]1CCCN1C
InChIInChI=1S/C18H28N2O2/c1-13-8-6-10-15(17(13)22-5)18(2,3)19-16(21)12-14-9-7-11-20(14)4/h6,8,10,14H,7,9,11-12H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyMHICYTYCLVYLCB-CQSZACIVSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072004
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072120
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 166072094
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072170
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072076
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide (CID 166072006) is N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide is COc1c(C)cccc1C(C)(C)NC(=O)C[C@H]1CCCN1C.
What is the InChIKey of N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is MHICYTYCLVYLCB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-8-6-10-15(17(13)22-5)18(2,3)19-16(21)12-14-9-7-11-20(14)4/h6,8,10,14H,7,9,11-12H2,1-5H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).