2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide

C24H32N2O4 — CID 24574965

IUPAC2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
SMILESCOc1ccc(C2CCCN2CC(=O)NCCCOCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-28-20-11-12-21(23(16-20)29-2)22-10-6-14-26(22)17-24(27)25-13-7-15-30-18-19-8-4-3-5-9-19/h3-5,8-9,11-12,16,22H,6-7,10,13-15,17-18H2,1-2H3,(H,25,27)
InChIKeyMAWZWDMMTKEUCV-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.56
Rot. Bonds11

About 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide

2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 24574965) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
PubChem CID24574965
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
SMILESCOc1ccc(C2CCCN2CC(=O)NCCCOCc2ccccc2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-28-20-11-12-21(23(16-20)29-2)22-10-6-14-26(22)17-24(27)25-13-7-15-30-18-19-8-4-3-5-9-19/h3-5,8-9,11-12,16,22H,6-7,10,13-15,17-18H2,1-2H3,(H,25,27)
InChIKeyMAWZWDMMTKEUCV-UHFFFAOYSA-N
XLogP3.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
N'-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 8854676
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011
2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857019
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 8835199
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26546400
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26546536
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26648605

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide (CID 24574965) is 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide is COc1ccc(C2CCCN2CC(=O)NCCCOCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is MAWZWDMMTKEUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-28-20-11-12-21(23(16-20)29-2)22-10-6-14-26(22)17-24(27)25-13-7-15-30-18-19-8-4-3-5-9-19/h3-5,8-9,11-12,16,22H,6-7,10,13-15,17-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide?
2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 24574965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).