1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide

C23H28N2O4 — CID 42681036

IUPAC1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CN(C(=O)c2cccc(OC)c2)CC1c1ccccc1OC
InChIInChI=1S/C23H28N2O4/c1-4-12-24-22(26)20-15-25(23(27)16-8-7-9-17(13-16)28-2)14-19(20)18-10-5-6-11-21(18)29-3/h5-11,13,19-20H,4,12,14-15H2,1-3H3,(H,24,26)
InChIKeyLRHOIWZEZIJCDU-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.09
Rot. Bonds7

About 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide

1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 42681036) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
PubChem CID42681036
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CN(C(=O)c2cccc(OC)c2)CC1c1ccccc1OC
InChIInChI=1S/C23H28N2O4/c1-4-12-24-22(26)20-15-25(23(27)16-8-7-9-17(13-16)28-2)14-19(20)18-10-5-6-11-21(18)29-3/h5-11,13,19-20H,4,12,14-15H2,1-3H3,(H,24,26)
InChIKeyLRHOIWZEZIJCDU-UHFFFAOYSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93150770
N-benzyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42680755
(3S,4R)-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 93152392
(3R,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93152775
(3R,4S)-4-(2,4-dimethoxyphenyl)-1-(3-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93154059
4-(2,3-dimethoxyphenyl)-1-(3-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681156
(3S,4R)-1-benzoyl-4-(2-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93152787
4-(2,5-dimethoxyphenyl)-1-(2-methylbenzoyl)-N-propylpyrrolidine-3-carboxamide
CID 42680798
(3S,4R)-1-(ethylcarbamothioyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93151943
(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152080
(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(2-fluorobenzoyl)-N-propylpyrrolidine-3-carboxamide
CID 93150688
4-(2-methoxyphenyl)-1-(2-phenylacetyl)-N-propylpyrrolidine-3-carboxamide
CID 42681035

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide (CID 42681036) is 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CN(C(=O)c2cccc(OC)c2)CC1c1ccccc1OC.
What is the InChIKey of 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is LRHOIWZEZIJCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-12-24-22(26)20-15-25(23(27)16-8-7-9-17(13-16)28-2)14-19(20)18-10-5-6-11-21(18)29-3/h5-11,13,19-20H,4,12,14-15H2,1-3H3,(H,24,26).
What are the key properties of 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide?
1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42681036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).