N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide

C24H28N2O5 — CID 42680772

IUPACN-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CC(C(=O)NC3CC3)C(c3cc(OC)ccc3OC)C2)c1
InChIInChI=1S/C24H28N2O5/c1-29-17-6-4-5-15(11-17)24(28)26-13-20(21(14-26)23(27)25-16-7-8-16)19-12-18(30-2)9-10-22(19)31-3/h4-6,9-12,16,20-21H,7-8,13-14H2,1-3H3,(H,25,27)
InChIKeyVAYOXMAADHSBKV-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.85
Rot. Bonds7

About N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide

N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide (PubChem CID 42680772) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
PubChem CID42680772
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CC(C(=O)NC3CC3)C(c3cc(OC)ccc3OC)C2)c1
InChIInChI=1S/C24H28N2O5/c1-29-17-6-4-5-15(11-17)24(28)26-13-20(21(14-26)23(27)25-16-7-8-16)19-12-18(30-2)9-10-22(19)31-3/h4-6,9-12,16,20-21H,7-8,13-14H2,1-3H3,(H,25,27)
InChIKeyVAYOXMAADHSBKV-UHFFFAOYSA-N
XLogP2.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 42826669
N-cyclopropyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826733
(3R,4S)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93154199
(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
(3R,4R)-1-(3-chlorobenzoyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151873
N-cyclopropyl-1-(4-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680870
(3R,4S)-1-benzoyl-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150584
(3R,4S)-4-(2,4-dimethoxyphenyl)-1-(3-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93154059
1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
CID 42681036
(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151820
(3R,4S)-4-(2,5-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150576

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide (CID 42680772) is N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide is COc1cccc(C(=O)N2CC(C(=O)NC3CC3)C(c3cc(OC)ccc3OC)C2)c1.
What is the InChIKey of N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is VAYOXMAADHSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-17-6-4-5-15(11-17)24(28)26-13-20(21(14-26)23(27)25-16-7-8-16)19-12-18(30-2)9-10-22(19)31-3/h4-6,9-12,16,20-21H,7-8,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).