1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

C23H28N2O5 — CID 42826709

IUPAC1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CN(C(=O)c2cccc(OC)c2)CC1c1cccc(OC)c1
InChIInChI=1S/C23H28N2O5/c1-28-11-10-24-22(26)21-15-25(23(27)17-7-5-9-19(13-17)30-3)14-20(21)16-6-4-8-18(12-16)29-2/h4-9,12-13,20-21H,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyAFVNZHZOJVRHJE-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.32
Rot. Bonds8

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

1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42826709) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42826709
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CN(C(=O)c2cccc(OC)c2)CC1c1cccc(OC)c1
InChIInChI=1S/C23H28N2O5/c1-28-11-10-24-22(26)21-15-25(23(27)17-7-5-9-19(13-17)30-3)14-20(21)16-6-4-8-18(12-16)29-2/h4-9,12-13,20-21H,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyAFVNZHZOJVRHJE-UHFFFAOYSA-N
XLogP2.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150856
(3R,4R)-1-(3-methoxybenzoyl)-N-(3-methoxypropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149927
N-cyclopropyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826733
1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 42829590
(3S,4S)-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154114
1-(cyclopentanecarbonyl)-4-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42826744
1-(1,3-benzodioxole-5-carbonyl)-N-butyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826776
(3S,4R)-N-(cyclopropylmethyl)-4-(3-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93154365
(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93154389
(3S,4S)-1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93150934
1-(3-chlorobenzoyl)-4-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42682013
(3S,4S)-N-benzyl-1-(3-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148992

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42826709) is 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is COCCNC(=O)C1CN(C(=O)c2cccc(OC)c2)CC1c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is AFVNZHZOJVRHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-11-10-24-22(26)21-15-25(23(27)17-7-5-9-19(13-17)30-3)14-20(21)16-6-4-8-18(12-16)29-2/h4-9,12-13,20-21H,10-11,14-15H2,1-3H3,(H,24,26).
What are the key properties of 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42826709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).