N-tetradecylpyrrolidine-3-carboxamide;hydrochloride

C19H39ClN2O — CID 154586688

IUPACN-tetradecylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCNC(=O)C1CCNC1.Cl
InChIInChI=1S/C19H38N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-19(22)18-14-16-20-17-18;/h18,20H,2-17H2,1H3,(H,21,22);1H
InChIKeyNZQPNWJQKPMCER-UHFFFAOYSA-N
MW346.99 g/mol
LogP4.84
Rot. Bonds14

About N-tetradecylpyrrolidine-3-carboxamide;hydrochloride

N-tetradecylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 154586688) has the molecular formula C19H39ClN2O and a molecular weight of 346.99 g/mol. Its IUPAC name is N-tetradecylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-tetradecylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID154586688
Molecular FormulaC19H39ClN2O
Molecular Weight346.99 g/mol
Exact Mass346.28
IUPAC NameN-tetradecylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCNC(=O)C1CCNC1.Cl
InChIInChI=1S/C19H38N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-19(22)18-14-16-20-17-18;/h18,20H,2-17H2,1H3,(H,21,22);1H
InChIKeyNZQPNWJQKPMCER-UHFFFAOYSA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.99
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119744484
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748

Frequently Asked Questions

What is the IUPAC name of N-tetradecylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-tetradecylpyrrolidine-3-carboxamide;hydrochloride (CID 154586688) is N-tetradecylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-tetradecylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-tetradecylpyrrolidine-3-carboxamide;hydrochloride is CCCCCCCCCCCCCCNC(=O)C1CCNC1.Cl.
What is the InChIKey of N-tetradecylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NZQPNWJQKPMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-19(22)18-14-16-20-17-18;/h18,20H,2-17H2,1H3,(H,21,22);1H.
What are the key properties of N-tetradecylpyrrolidine-3-carboxamide;hydrochloride?
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 346.99 g/mol, XLogP of 4.84, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 154586688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).