N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

C17H31ClN2O2 — CID 119805657

IUPACN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C17H30N2O2.ClH/c1-13-4-6-15(7-5-13)19(12-16-3-2-10-21-16)17(20)14-8-9-18-11-14;/h13-16,18H,2-12H2,1H3;1H
InChIKeyTVDGSYUEWGLRPY-UHFFFAOYSA-N
MW330.90 g/mol
LogP2.60
Rot. Bonds4

About N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119805657) has the molecular formula C17H31ClN2O2 and a molecular weight of 330.90 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119805657
Molecular FormulaC17H31ClN2O2
Molecular Weight330.90 g/mol
Exact Mass330.21
IUPAC NameN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)C2CCNC2)CC1.Cl
InChIInChI=1S/C17H30N2O2.ClH/c1-13-4-6-15(7-5-13)19(12-16-3-2-10-21-16)17(20)14-8-9-18-11-14;/h13-16,18H,2-12H2,1H3;1H
InChIKeyTVDGSYUEWGLRPY-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119336171
N-cyclopentyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 119336156
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805637
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
N-cyclopentyl-N-ethylpyrrolidine-3-carboxamide;hydrochloride
CID 119722120
N-butyl-N-cyclopropylpyrrolidine-3-carboxamide
CID 63005582
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119805627
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119805657) is N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is CC1CCC(N(CC2CCCO2)C(=O)C2CCNC2)CC1.Cl.
What is the InChIKey of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is TVDGSYUEWGLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2.ClH/c1-13-4-6-15(7-5-13)19(12-16-3-2-10-21-16)17(20)14-8-9-18-11-14;/h13-16,18H,2-12H2,1H3;1H.
What are the key properties of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119805657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).