(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide

C24H30N2O3 — CID 122386187

IUPAC(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H30N2O3/c1-26-15-20(21(16-26)24(27)25-18-8-4-3-5-9-18)17-12-13-22(28-2)23(14-17)29-19-10-6-7-11-19/h3-5,8-9,12-14,19-21H,6-7,10-11,15-16H2,1-2H3,(H,25,27)/t20-,21+/m1/s1
InChIKeyKENQLCPNEZQYNQ-RTWAWAEBSA-N
MW394.52 g/mol
LogP4.30
Rot. Bonds6

About (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide

(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide (PubChem CID 122386187) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
PubChem CID122386187
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H30N2O3/c1-26-15-20(21(16-26)24(27)25-18-8-4-3-5-9-18)17-12-13-22(28-2)23(14-17)29-19-10-6-7-11-19/h3-5,8-9,12-14,19-21H,6-7,10-11,15-16H2,1-2H3,(H,25,27)/t20-,21+/m1/s1
InChIKeyKENQLCPNEZQYNQ-RTWAWAEBSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
1-[(3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]ethanone
CID 70093783
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219
methyl (3R,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 54485183
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55584408
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
tert-butyl (3S,4R)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 70096559
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
[1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 22915199
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 22915275

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide (CID 122386187) is (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide is COc1ccc([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccccc2)cc1OC1CCCC1.
What is the InChIKey of (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is KENQLCPNEZQYNQ-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-26-15-20(21(16-26)24(27)25-18-8-4-3-5-9-18)17-12-13-22(28-2)23(14-17)29-19-10-6-7-11-19/h3-5,8-9,12-14,19-21H,6-7,10-11,15-16H2,1-2H3,(H,25,27)/t20-,21+/m1/s1.
What are the key properties of (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide?
(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122386187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).