(2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide

C16H26N4O2 — CID 6407080

IUPAC(2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide
SMILESCN(C)CCCNCCCNC(=O)/C(=N\O)c1ccccc1
InChIInChI=1S/C16H26N4O2/c1-20(2)13-7-11-17-10-6-12-18-16(21)15(19-22)14-8-4-3-5-9-14/h3-5,8-9,17,22H,6-7,10-13H2,1-2H3,(H,18,21)/b19-15-
InChIKeyVZSFFUYSIDEDKS-CYVLTUHYSA-N
MW306.41 g/mol
LogP0.91
Rot. Bonds10

About (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide

(2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide (PubChem CID 6407080) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide.

Molecular Properties

Compound Name(2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide
PubChem CID6407080
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide
SMILESCN(C)CCCNCCCNC(=O)/C(=N\O)c1ccccc1
InChIInChI=1S/C16H26N4O2/c1-20(2)13-7-11-17-10-6-12-18-16(21)15(19-22)14-8-4-3-5-9-14/h3-5,8-9,17,22H,6-7,10-13H2,1-2H3,(H,18,21)/b19-15-
InChIKeyVZSFFUYSIDEDKS-CYVLTUHYSA-N
XLogP0.91
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide?
The IUPAC name of (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide (CID 6407080) is (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide.
What is the SMILES notation for (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide?
The canonical SMILES for (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide is CN(C)CCCNCCCNC(=O)/C(=N\O)c1ccccc1.
What is the InChIKey of (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide?
The InChIKey is VZSFFUYSIDEDKS-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-20(2)13-7-11-17-10-6-12-18-16(21)15(19-22)14-8-4-3-5-9-14/h3-5,8-9,17,22H,6-7,10-13H2,1-2H3,(H,18,21)/b19-15-.
What are the key properties of (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide?
(2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide has a molecular weight of 306.41 g/mol, XLogP of 0.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyimino-2-phenylacetamide is sourced from PubChem (CID 6407080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).