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

C18H21N3O2 — CID 6413344

IUPAC(2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide
SMILESO=C(NCCCNCc1ccccc1)/C(=N\O)c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(17(21-23)16-10-5-2-6-11-16)20-13-7-12-19-14-15-8-3-1-4-9-15/h1-6,8-11,19,23H,7,12-14H2,(H,20,22)/b21-17-
InChIKeyPDNYMQLPOPTWSS-FXBPSFAMSA-N
MW311.39 g/mol
LogP2.16
Rot. Bonds8

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

(2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide (PubChem CID 6413344) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide.

Molecular Properties

Compound Name(2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide
PubChem CID6413344
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide
SMILESO=C(NCCCNCc1ccccc1)/C(=N\O)c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(17(21-23)16-10-5-2-6-11-16)20-13-7-12-19-14-15-8-3-1-4-9-15/h1-6,8-11,19,23H,7,12-14H2,(H,20,22)/b21-17-
InChIKeyPDNYMQLPOPTWSS-FXBPSFAMSA-N
XLogP2.16
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
The IUPAC name of (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide (CID 6413344) is (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide.
What is the SMILES notation for (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
The canonical SMILES for (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide is O=C(NCCCNCc1ccccc1)/C(=N\O)c1ccccc1.
What is the InChIKey of (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
The InChIKey is PDNYMQLPOPTWSS-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(17(21-23)16-10-5-2-6-11-16)20-13-7-12-19-14-15-8-3-1-4-9-15/h1-6,8-11,19,23H,7,12-14H2,(H,20,22)/b21-17-.
What are the key properties of (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide?
(2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide has a molecular weight of 311.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[3-(benzylamino)propyl]-2-hydroxyimino-2-phenylacetamide is sourced from PubChem (CID 6413344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).