N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide

C19H30N2O3 — CID 112505175

IUPACN-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
SMILESCOc1ccc(C(CNC(=O)CC(C)C)N2CCCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-14(2)11-19(22)20-13-16(21-9-5-6-10-21)15-7-8-17(23-3)18(12-15)24-4/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3,(H,20,22)
InChIKeyJDDAFSCHSVRPML-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide

N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide (PubChem CID 112505175) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
PubChem CID112505175
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
SMILESCOc1ccc(C(CNC(=O)CC(C)C)N2CCCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-14(2)11-19(22)20-13-16(21-9-5-6-10-21)15-7-8-17(23-3)18(12-15)24-4/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3,(H,20,22)
InChIKeyJDDAFSCHSVRPML-UHFFFAOYSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110622752
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622743
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide (CID 112505175) is N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide is COc1ccc(C(CNC(=O)CC(C)C)N2CCCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
The InChIKey is JDDAFSCHSVRPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)11-19(22)20-13-16(21-9-5-6-10-21)15-7-8-17(23-3)18(12-15)24-4/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide?
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide has a molecular weight of 334.46 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide is sourced from PubChem (CID 112505175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).