(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide

C21H43N3O — CID 167356531

IUPAC(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CNC[C@H]1N(C)C
InChIInChI=1S/C21H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-21(25)19-17-22-18-20(19)24(2)3/h19-20,22H,4-18H2,1-3H3,(H,23,25)/t19-,20-/m1/s1
InChIKeyLCFVLLHWWONWCZ-WOJBJXKFSA-N
MW353.60 g/mol
LogP3.95
Rot. Bonds15

About (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide

(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide (PubChem CID 167356531) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide
PubChem CID167356531
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC Name(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CNC[C@H]1N(C)C
InChIInChI=1S/C21H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-21(25)19-17-22-18-20(19)24(2)3/h19-20,22H,4-18H2,1-3H3,(H,23,25)/t19-,20-/m1/s1
InChIKeyLCFVLLHWWONWCZ-WOJBJXKFSA-N
XLogP3.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.95
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

3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586687
(3R,4S)-4-heptoxy-N-hexylpyrrolidine-3-carboxamide
CID 167356464
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105177
N-octylmorpholine-2-carboxamide
CID 115567943
(1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7001791
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide (CID 167356531) is (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@@H]1CNC[C@H]1N(C)C.
What is the InChIKey of (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide?
The InChIKey is LCFVLLHWWONWCZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-21(25)19-17-22-18-20(19)24(2)3/h19-20,22H,4-18H2,1-3H3,(H,23,25)/t19-,20-/m1/s1.
What are the key properties of (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide?
(3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide has a molecular weight of 353.60 g/mol, XLogP of 3.95, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(dimethylamino)-N-tetradecylpyrrolidine-3-carboxamide is sourced from PubChem (CID 167356531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).