N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide

C25H30N2O5 — CID 42681947

IUPACN-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)NCC3CC3)C(c3ccc(OC)cc3OC)C2)cc1
InChIInChI=1S/C25H30N2O5/c1-30-18-8-6-17(7-9-18)25(29)27-14-21(20-11-10-19(31-2)12-23(20)32-3)22(15-27)24(28)26-13-16-4-5-16/h6-12,16,21-22H,4-5,13-15H2,1-3H3,(H,26,28)
InChIKeySKHRLPFFCSEPMS-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.09
Rot. Bonds8

About N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide

N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide (PubChem CID 42681947) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
PubChem CID42681947
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)NCC3CC3)C(c3ccc(OC)cc3OC)C2)cc1
InChIInChI=1S/C25H30N2O5/c1-30-18-8-6-17(7-9-18)25(29)27-14-21(20-11-10-19(31-2)12-23(20)32-3)22(15-27)24(28)26-13-16-4-5-16/h6-12,16,21-22H,4-5,13-15H2,1-3H3,(H,26,28)
InChIKeySKHRLPFFCSEPMS-UHFFFAOYSA-N
XLogP3.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828357
(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93154703
4-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681626
1-benzoyl-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681657
(3S,4S)-N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151900
N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42681040
(3S,4S)-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93154038
(3R,4R)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154069
(3S,4R)-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 93152392
4-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42681965
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496
1-(1,3-benzodioxole-5-carbonyl)-N-(cyclopropylmethyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42826690

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide (CID 42681947) is N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide is COc1ccc(C(=O)N2CC(C(=O)NCC3CC3)C(c3ccc(OC)cc3OC)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is SKHRLPFFCSEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-30-18-8-6-17(7-9-18)25(29)27-14-21(20-11-10-19(31-2)12-23(20)32-3)22(15-27)24(28)26-13-16-4-5-16/h6-12,16,21-22H,4-5,13-15H2,1-3H3,(H,26,28).
What are the key properties of N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide?
N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).