N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide

C20H30N2O3 — CID 72857344

IUPACN-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CN(C2CCCC2)C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H30N2O3/c1-24-12-11-20(23)21-19-14-22(16-5-3-4-6-16)13-18(19)15-7-9-17(25-2)10-8-15/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyOAPLNVIVLPMURV-MOPGFXCFSA-N
MW346.47 g/mol
LogP2.56
Rot. Bonds7

About N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide

N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 72857344) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID72857344
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CN(C2CCCC2)C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H30N2O3/c1-24-12-11-20(23)21-19-14-22(16-5-3-4-6-16)13-18(19)15-7-9-17(25-2)10-8-15/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyOAPLNVIVLPMURV-MOPGFXCFSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide (CID 72857344) is N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)N[C@H]1CN(C2CCCC2)C[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is OAPLNVIVLPMURV-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-12-11-20(23)21-19-14-22(16-5-3-4-6-16)13-18(19)15-7-9-17(25-2)10-8-15/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,21,23)/t18-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 346.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 72857344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).