2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide

C22H27N5O4 — CID 6801703

IUPAC2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
SMILESO=C(NCCCNCCCNC(=O)C(=NO)c1ccccc1)C(=NO)c1ccccc1
InChIInChI=1S/C22H27N5O4/c28-21(19(26-30)17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-22(29)20(27-31)18-11-5-2-6-12-18/h1-6,9-12,23,30-31H,7-8,13-16H2,(H,24,28)(H,25,29)
InChIKeyKHQOKRKRRYMRMU-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.35
Rot. Bonds12

About 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide

2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide (PubChem CID 6801703) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
PubChem CID6801703
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
SMILESO=C(NCCCNCCCNC(=O)C(=NO)c1ccccc1)C(=NO)c1ccccc1
InChIInChI=1S/C22H27N5O4/c28-21(19(26-30)17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-22(29)20(27-31)18-11-5-2-6-12-18/h1-6,9-12,23,30-31H,7-8,13-16H2,(H,24,28)(H,25,29)
InChIKeyKHQOKRKRRYMRMU-UHFFFAOYSA-N
XLogP1.35
TPSA135.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
CID 6808043
(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
CID 7322149
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
CID 6803126
2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 6822271
(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide
CID 6411323
(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide
CID 75538776
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
CID 15906772
1-benzyl-3-[3-[5-[3-(benzylcarbamoylamino)propylamino]pentylamino]propyl]urea;dihydrochloride
CID 127052927

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide (CID 6801703) is 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide is O=C(NCCCNCCCNC(=O)C(=NO)c1ccccc1)C(=NO)c1ccccc1.
What is the InChIKey of 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide?
The InChIKey is KHQOKRKRRYMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c28-21(19(26-30)17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-22(29)20(27-31)18-11-5-2-6-12-18/h1-6,9-12,23,30-31H,7-8,13-16H2,(H,24,28)(H,25,29).
What are the key properties of 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide?
2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide has a molecular weight of 425.49 g/mol, XLogP of 1.35, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide is sourced from PubChem (CID 6801703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).