3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide

C17H22N2O4 — CID 10313807

IUPAC3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22N2O4/c1-22-14-7-6-11(8-15(14)23-13-4-2-3-5-13)17(21)19-12-9-16(20)18-10-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyPHHVCJYLJHVDBZ-LBPRGKRZSA-N
MW318.37 g/mol
LogP1.63
Rot. Bonds5

About 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide

3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 10313807) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID10313807
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H22N2O4/c1-22-14-7-6-11(8-15(14)23-13-4-2-3-5-13)17(21)19-12-9-16(20)18-10-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyPHHVCJYLJHVDBZ-LBPRGKRZSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide (CID 10313807) is 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is PHHVCJYLJHVDBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-14-7-6-11(8-15(14)23-13-4-2-3-5-13)17(21)19-12-9-16(20)18-10-12/h6-8,12-13H,2-5,9-10H2,1H3,(H,18,20)(H,19,21)/t12-/m0/s1.
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide?
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 318.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 10313807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).