(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

C24H30N2O4 — CID 93154389

IUPAC(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C24H30N2O4/c1-5-25(6-2)24(28)22-16-26(23(27)18-10-8-12-20(14-18)30-4)15-21(22)17-9-7-11-19(13-17)29-3/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+/m1/s1
InChIKeyINHFYOIZQHSKTM-YADHBBJMSA-N
MW410.51 g/mol
LogP3.43
Rot. Bonds7

About (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide

(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 93154389) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID93154389
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C24H30N2O4/c1-5-25(6-2)24(28)22-16-26(23(27)18-10-8-12-20(14-18)30-4)15-21(22)17-9-7-11-19(13-17)29-3/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+/m1/s1
InChIKeyINHFYOIZQHSKTM-YADHBBJMSA-N
XLogP3.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N,N-diethyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42830442
N-ethyl-1-(4-methoxybenzoyl)-4-(3-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
CID 42830456
1-benzoyl-N,N-diethyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680303
N-cyclopropyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826733
1-(3-methoxybenzoyl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42826709
(3R,4S)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133113648
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299
1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680866
(3R,4R)-1-benzoyl-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150886
(3S,4S)-1-(4-chlorobenzoyl)-N,N-diethyl-4-phenylpyrrolidine-3-carboxamide
CID 93148612
[(3R,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
1-(cyclopropylcarbamothioyl)-N-ethyl-4-(3-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
CID 42830475

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide (CID 93154389) is (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CN(C(=O)c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1.
What is the InChIKey of (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is INHFYOIZQHSKTM-YADHBBJMSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-25(6-2)24(28)22-16-26(23(27)18-10-8-12-20(14-18)30-4)15-21(22)17-9-7-11-19(13-17)29-3/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+/m1/s1.
What are the key properties of (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide?
(3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,N-diethyl-1-(3-methoxybenzoyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93154389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).