N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C19H33N3O2 — CID 3244152

IUPACN-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H33N3O2/c23-18-14-16(15-22(18)17-8-3-4-9-17)19(24)20-10-7-13-21-11-5-1-2-6-12-21/h16-17H,1-15H2,(H,20,24)
InChIKeyHHTZIGQTIVFSMY-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.16
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3244152) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3244152
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H33N3O2/c23-18-14-16(15-22(18)17-8-3-4-9-17)19(24)20-10-7-13-21-11-5-1-2-6-12-21/h16-17H,1-15H2,(H,20,24)
InChIKeyHHTZIGQTIVFSMY-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 3244152) is N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCCN1CCCCCC1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HHTZIGQTIVFSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c23-18-14-16(15-22(18)17-8-3-4-9-17)19(24)20-10-7-13-21-11-5-1-2-6-12-21/h16-17H,1-15H2,(H,20,24).
What are the key properties of N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3244152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).