N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide

C20H31N5O2 — CID 110035637

IUPACN,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C20H31N5O2/c1-5-11-21-20(23-14-18(27)24(2)3)22-13-16-12-17(26)25(4)19(16)15-9-7-6-8-10-15/h6-10,16,19H,5,11-14H2,1-4H3,(H2,21,22,23)
InChIKeyALAFVAIRHIGOSW-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.24
Rot. Bonds7

About N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide (PubChem CID 110035637) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
PubChem CID110035637
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C20H31N5O2/c1-5-11-21-20(23-14-18(27)24(2)3)22-13-16-12-17(26)25(4)19(16)15-9-7-6-8-10-15/h6-10,16,19H,5,11-14H2,1-4H3,(H2,21,22,23)
InChIKeyALAFVAIRHIGOSW-UHFFFAOYSA-N
XLogP1.24
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide (CID 110035637) is N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C)C1c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide?
The InChIKey is ALAFVAIRHIGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-5-11-21-20(23-14-18(27)24(2)3)22-13-16-12-17(26)25(4)19(16)15-9-7-6-8-10-15/h6-10,16,19H,5,11-14H2,1-4H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110035637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).