2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C19H30N2O2 — CID 15130814

IUPAC2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCOc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)18(14-21-11-5-6-12-21)20(3)19(22)13-16-7-9-17(23-4)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3/t18-/m1/s1
InChIKeyOXTNFEJOXMBLCK-GOSISDBHSA-N
MW318.46 g/mol
LogP2.82
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 15130814) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID15130814
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCOc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)18(14-21-11-5-6-12-21)20(3)19(22)13-16-7-9-17(23-4)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3/t18-/m1/s1
InChIKeyOXTNFEJOXMBLCK-GOSISDBHSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 15130814) is 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is OXTNFEJOXMBLCK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)18(14-21-11-5-6-12-21)20(3)19(22)13-16-7-9-17(23-4)10-8-16/h7-10,15,18H,5-6,11-14H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 15130814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).