N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

C21H25N3O4 — CID 34085577

IUPACN-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCOc1cc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc(OC)c1
InChIInChI=1S/C21H25N3O4/c1-27-18-11-17(12-19(13-18)28-2)23-20(25)14-22-16-7-5-6-15(10-16)21(26)24-8-3-4-9-24/h5-7,10-13,22H,3-4,8-9,14H2,1-2H3,(H,23,25)
InChIKeyHGLBDIMGWXXUCF-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.99
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 34085577) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID34085577
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCOc1cc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc(OC)c1
InChIInChI=1S/C21H25N3O4/c1-27-18-11-17(12-19(13-18)28-2)23-20(25)14-22-16-7-5-6-15(10-16)21(26)24-8-3-4-9-24/h5-7,10-13,22H,3-4,8-9,14H2,1-2H3,(H,23,25)
InChIKeyHGLBDIMGWXXUCF-UHFFFAOYSA-N
XLogP2.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(2,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085528
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 34085577) is N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is COc1cc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is HGLBDIMGWXXUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-11-17(12-19(13-18)28-2)23-20(25)14-22-16-7-5-6-15(10-16)21(26)24-8-3-4-9-24/h5-7,10-13,22H,3-4,8-9,14H2,1-2H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 34085577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).