2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide

C19H30N2O2 — CID 110312807

IUPAC2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
SMILESCOc1ccc(C(C(=O)NCC(C)N2CCCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)18(16-7-9-17(23-4)10-8-16)19(22)20-13-15(3)21-11-5-6-12-21/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H,20,22)
InChIKeyCHRWDRWANFGCEJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide

2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 110312807) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
PubChem CID110312807
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
SMILESCOc1ccc(C(C(=O)NCC(C)N2CCCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)18(16-7-9-17(23-4)10-8-16)19(22)20-13-15(3)21-11-5-6-12-21/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H,20,22)
InChIKeyCHRWDRWANFGCEJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35341970
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide (CID 110312807) is 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide is COc1ccc(C(C(=O)NCC(C)N2CCCC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is CHRWDRWANFGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)18(16-7-9-17(23-4)10-8-16)19(22)20-13-15(3)21-11-5-6-12-21/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide?
2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 318.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 110312807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).