2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide

C17H26N4O — CID 111738976

IUPAC2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)N1CCC(C)(C)C1
InChIInChI=1S/C17H26N4O/c1-4-18-16(21-11-10-17(2,3)13-21)19-12-15(22)20-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyJTOHOZFBGLKYRQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds4

About 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide

2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide (PubChem CID 111738976) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
PubChem CID111738976
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)N1CCC(C)(C)C1
InChIInChI=1S/C17H26N4O/c1-4-18-16(21-11-10-17(2,3)13-21)19-12-15(22)20-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyJTOHOZFBGLKYRQ-UHFFFAOYSA-N
XLogP2.32
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
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

2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 110962985
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109453473
2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]-N-phenylacetamide
CID 111184702
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 109490632
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110961223
N-[4-[2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111740421
ethyl 1-[N'-(2-anilino-2-oxoethyl)-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155523
N-[3-[[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111738990
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 109490735
N-[3-[[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111739513
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
CID 111726933

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide (CID 111738976) is 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide is CCN/C(=N\CC(=O)Nc1ccccc1)N1CCC(C)(C)C1.
What is the InChIKey of 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
The InChIKey is JTOHOZFBGLKYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-18-16(21-11-10-17(2,3)13-21)19-12-15(22)20-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111738976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).