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

C15H28N2O2 — CID 124857791

IUPAC(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@H]1O
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)/t12-,13+,14+/m0/s1
InChIKeyHSRYAQWTUWNIRM-BFHYXJOUSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds5

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

(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 124857791) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID124857791
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@H]1O
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)/t12-,13+,14+/m0/s1
InChIKeyHSRYAQWTUWNIRM-BFHYXJOUSA-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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Related Compounds

2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide
CID 110012157
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide (CID 124857791) is (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is HSRYAQWTUWNIRM-BFHYXJOUSA-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)/t12-,13+,14+/m0/s1.
What are the key properties of (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide?
(2R)-N-[3-[(1S,2R)-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 (2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).