4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide

C20H30N2O3 — CID 42829638

IUPAC4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCCC(C)C)C(c2ccccc2OC)C1
InChIInChI=1S/C20H30N2O3/c1-5-19(23)22-12-16(15-8-6-7-9-18(15)25-4)17(13-22)20(24)21-11-10-14(2)3/h6-9,14,16-17H,5,10-13H2,1-4H3,(H,21,24)
InChIKeyXPXRBKSBKJGMTJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.81
Rot. Bonds7

About 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide

4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide (PubChem CID 42829638) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
PubChem CID42829638
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCCC(C)C)C(c2ccccc2OC)C1
InChIInChI=1S/C20H30N2O3/c1-5-19(23)22-12-16(15-8-6-7-9-18(15)25-4)17(13-22)20(24)21-11-10-14(2)3/h6-9,14,16-17H,5,10-13H2,1-4H3,(H,21,24)
InChIKeyXPXRBKSBKJGMTJ-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829641
1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829632
1-(furan-2-carbonyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829633
1-(4-chlorobenzoyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829644
4-(2-methoxyphenyl)-1-(3-methylbutanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42828340
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42825886
4-(2-methoxyphenyl)-1-(2-phenylacetyl)-N-propylpyrrolidine-3-carboxamide
CID 42681035
(3S,4R)-1-(ethylcarbamothioyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93151943
(3R,4R)-N-butyl-4-(2,3-dimethoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 93152418
(3S,4S)-1-(cyclopropanecarbonyl)-4-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93154740
(3R,4S)-1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93150748
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42830404

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide (CID 42829638) is 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide is CCC(=O)N1CC(C(=O)NCCC(C)C)C(c2ccccc2OC)C1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide?
The InChIKey is XPXRBKSBKJGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-19(23)22-12-16(15-8-6-7-9-18(15)25-4)17(13-22)20(24)21-11-10-14(2)3/h6-9,14,16-17H,5,10-13H2,1-4H3,(H,21,24).
What are the key properties of 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide?
4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42829638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).