3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide

C19H30N4O — CID 111722793

IUPAC3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\NCC)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H30N4O/c1-3-12-21-18(24)10-13-22-19(20-4-2)23-14-11-17(15-23)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRYMDPRLOXAZCIJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.36
Rot. Bonds7

About 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide

3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide (PubChem CID 111722793) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
PubChem CID111722793
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\NCC)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H30N4O/c1-3-12-21-18(24)10-13-22-19(20-4-2)23-14-11-17(15-23)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRYMDPRLOXAZCIJ-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 111723766
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-benzyl-3-[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]propanamide;hydroiodide
CID 111732016
methyl 5-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 111723376
ethyl 4-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]butanoate
CID 111723371
N-ethyl-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724218
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]furan-2-carboxamide
CID 111723093
3-[[ethylamino-(3-pentan-3-ylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111744151
N-[2-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111722878
3-[[3,4-dihydro-1H-isoquinolin-2-yl(ethylamino)methylidene]amino]-N-propylpropanamide
CID 110947716
3-[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 109414572

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide?
The IUPAC name of 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide (CID 111722793) is 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide is CCCNC(=O)CC/N=C(\NCC)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide?
The InChIKey is RYMDPRLOXAZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-3-12-21-18(24)10-13-22-19(20-4-2)23-14-11-17(15-23)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide?
3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide has a molecular weight of 330.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide is sourced from PubChem (CID 111722793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).