3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C22H26N2O4 — CID 38018921

IUPAC3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H26N2O4/c1-27-19-10-11-20(28-2)17(15-19)7-12-21(25)23-18-8-5-16(6-9-18)22(26)24-13-3-4-14-24/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,23,25)
InChIKeyVWGOIVBDPVOIJD-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.51
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 38018921) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID38018921
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H26N2O4/c1-27-19-10-11-20(28-2)17(15-19)7-12-21(25)23-18-8-5-16(6-9-18)22(26)24-13-3-4-14-24/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,23,25)
InChIKeyVWGOIVBDPVOIJD-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 46533396
3-(2,5-dimethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 38031826
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 86865604
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
1-[4-(azepane-1-carbonyl)phenyl]-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55834664
2-methoxyethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate
CID 17199104
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 38018921) is 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is COc1ccc(OC)c(CCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is VWGOIVBDPVOIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-10-11-20(28-2)17(15-19)7-12-21(25)23-18-8-5-16(6-9-18)22(26)24-13-3-4-14-24/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 38018921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).