N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide

C14H26N2O2 — CID 110012157

IUPACN-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCC1CCCCC1O)C1CCCN1
InChIInChI=1S/C14H26N2O2/c17-13-8-2-1-5-11(13)6-3-10-16-14(18)12-7-4-9-15-12/h11-13,15,17H,1-10H2,(H,16,18)
InChIKeyCXWJELXACOQVTG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.19
Rot. Bonds5

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

N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide (PubChem CID 110012157) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide
PubChem CID110012157
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCC1CCCCC1O)C1CCCN1
InChIInChI=1S/C14H26N2O2/c17-13-8-2-1-5-11(13)6-3-10-16-14(18)12-7-4-9-15-12/h11-13,15,17H,1-10H2,(H,16,18)
InChIKeyCXWJELXACOQVTG-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943
2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide (CID 110012157) is N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide is O=C(NCCCC1CCCCC1O)C1CCCN1.
What is the InChIKey of N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is CXWJELXACOQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-13-8-2-1-5-11(13)6-3-10-16-14(18)12-7-4-9-15-12/h11-13,15,17H,1-10H2,(H,16,18).
What are the key properties of N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide?
N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxycyclohexyl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110012157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).