N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide

C23H30N4O — CID 110039795

IUPACN,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
SMILESCC(N/C(=N\CC(=O)N(C)C)N1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H30N4O/c1-18(19-10-6-4-7-11-19)25-23(24-16-22(28)26(2)3)27-15-14-21(17-27)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3,(H,24,25)
InChIKeyLGKFYXXVBLWEAK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.27
Rot. Bonds5

About N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide

N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide (PubChem CID 110039795) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
PubChem CID110039795
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
SMILESCC(N/C(=N\CC(=O)N(C)C)N1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H30N4O/c1-18(19-10-6-4-7-11-19)25-23(24-16-22(28)26(2)3)27-15-14-21(17-27)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3,(H,24,25)
InChIKeyLGKFYXXVBLWEAK-UHFFFAOYSA-N
XLogP3.27
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
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,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
CID 111723403
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
CID 110044323
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723708
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038875
N,N-dimethyl-2-[[(3-methyl-4-phenylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044338
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111742924
2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide
CID 111545909
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110050070
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110050053
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide (CID 110039795) is N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide is CC(N/C(=N\CC(=O)N(C)C)N1CCC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
The InChIKey is LGKFYXXVBLWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18(19-10-6-4-7-11-19)25-23(24-16-22(28)26(2)3)27-15-14-21(17-27)20-12-8-5-9-13-20/h4-13,18,21H,14-17H2,1-3H3,(H,24,25).
What are the key properties of N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1-phenylethylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide is sourced from PubChem (CID 110039795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).