N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide

C16H24N2O3 — CID 63141186

IUPACN-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(OC)cc2OC)CCNC1
InChIInChI=1S/C16H24N2O3/c1-4-7-16(8-9-17-11-16)15(19)18-13-6-5-12(20-2)10-14(13)21-3/h5-6,10,17H,4,7-9,11H2,1-3H3,(H,18,19)
InChIKeyYOWPXNBZPCKDDQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.42
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141186) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63141186
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(OC)cc2OC)CCNC1
InChIInChI=1S/C16H24N2O3/c1-4-7-16(8-9-17-11-16)15(19)18-13-6-5-12(20-2)10-14(13)21-3/h5-6,10,17H,4,7-9,11H2,1-3H3,(H,18,19)
InChIKeyYOWPXNBZPCKDDQ-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
CID 63139072
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
4-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide
CID 63128400
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide (CID 63141186) is N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(OC)cc2OC)CCNC1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is YOWPXNBZPCKDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-16(8-9-17-11-16)15(19)18-13-6-5-12(20-2)10-14(13)21-3/h5-6,10,17H,4,7-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).