N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide

C15H28N2O2 — CID 102553487

IUPACN-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCCC1CCCCC1O
InChIInChI=1S/C15H28N2O2/c1-17-11-5-8-13(17)15(19)16-10-4-7-12-6-2-3-9-14(12)18/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyHSRYAQWTUWNIRM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds5

About N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide

N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 102553487) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID102553487
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCCC1CCCCC1O
InChIInChI=1S/C15H28N2O2/c1-17-11-5-8-13(17)15(19)16-10-4-7-12-6-2-3-9-14(12)18/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyHSRYAQWTUWNIRM-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
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-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide (CID 102553487) is N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCCCC1CCCCC1O.
What is the InChIKey of N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is HSRYAQWTUWNIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17-11-5-8-13(17)15(19)16-10-4-7-12-6-2-3-9-14(12)18/h12-14,18H,2-11H2,1H3,(H,16,19).
What are the key properties of N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide?
N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102553487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).