N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide

C22H26N2O3 — CID 110515291

IUPACN-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
SMILESCCCCCCOc1ccccc1C(=O)/C=N\NC(=O)Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-2-3-4-10-15-27-21-14-9-8-13-19(21)20(25)17-23-24-22(26)16-18-11-6-5-7-12-18/h5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,24,26)/b23-17-
InChIKeySHGHAJKOWOPIIB-QJOMJCCJSA-N
MW366.46 g/mol
LogP4.17
Rot. Bonds11

About N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide

N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide (PubChem CID 110515291) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
PubChem CID110515291
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
SMILESCCCCCCOc1ccccc1C(=O)/C=N\NC(=O)Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-2-3-4-10-15-27-21-14-9-8-13-19(21)20(25)17-23-24-22(26)16-18-11-6-5-7-12-18/h5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,24,26)/b23-17-
InChIKeySHGHAJKOWOPIIB-QJOMJCCJSA-N
XLogP4.17
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide
CID 110510129
(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
CID 110505608
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522844
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
1-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508445
N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide
CID 110517810
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
2-pentoxybenzoic acid;pentyl 2-phenylacetate
CID 161192270
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide (CID 110515291) is N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide is CCCCCCOc1ccccc1C(=O)/C=N\NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide?
The InChIKey is SHGHAJKOWOPIIB-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-3-4-10-15-27-21-14-9-8-13-19(21)20(25)17-23-24-22(26)16-18-11-6-5-7-12-18/h5-9,11-14,17H,2-4,10,15-16H2,1H3,(H,24,26)/b23-17-.
What are the key properties of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide?
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide has a molecular weight of 366.46 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 110515291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).