2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide

C19H24N4O2 — CID 89355003

IUPAC2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
SMILESCCCCOc1cccc(NCC(=O)N/N=C(\C)c2ccncc2)c1
InChIInChI=1S/C19H24N4O2/c1-3-4-12-25-18-7-5-6-17(13-18)21-14-19(24)23-22-15(2)16-8-10-20-11-9-16/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,23,24)/b22-15+
InChIKeyIXRJLWVQBNIJEJ-PXLXIMEGSA-N
MW340.43 g/mol
LogP3.21
Rot. Bonds9

About 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide

2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide (PubChem CID 89355003) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
PubChem CID89355003
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
SMILESCCCCOc1cccc(NCC(=O)N/N=C(\C)c2ccncc2)c1
InChIInChI=1S/C19H24N4O2/c1-3-4-12-25-18-7-5-6-17(13-18)21-14-19(24)23-22-15(2)16-8-10-20-11-9-16/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,23,24)/b22-15+
InChIKeyIXRJLWVQBNIJEJ-PXLXIMEGSA-N
XLogP3.21
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-tert-butyl-2-(3-heptoxyanilino)acetamide
CID 54829073
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
The IUPAC name of 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide (CID 89355003) is 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
The canonical SMILES for 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide is CCCCOc1cccc(NCC(=O)N/N=C(\C)c2ccncc2)c1.
What is the InChIKey of 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
The InChIKey is IXRJLWVQBNIJEJ-PXLXIMEGSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-4-12-25-18-7-5-6-17(13-18)21-14-19(24)23-22-15(2)16-8-10-20-11-9-16/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,23,24)/b22-15+.
What are the key properties of 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide?
2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide has a molecular weight of 340.43 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide is sourced from PubChem (CID 89355003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).