2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide

C19H30N2O2 — CID 54785064

IUPAC2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
SMILESCCCC/C(CC)=N/NC(=O)COc1ccc(C(C)CC)cc1
InChIInChI=1S/C19H30N2O2/c1-5-8-9-17(7-3)20-21-19(22)14-23-18-12-10-16(11-13-18)15(4)6-2/h10-13,15H,5-9,14H2,1-4H3,(H,21,22)/b20-17+
InChIKeyQLCDPQBDAXFZHY-LVZFUZTISA-N
MW318.46 g/mol
LogP4.65
Rot. Bonds10

About 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide

2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide (PubChem CID 54785064) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
PubChem CID54785064
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
SMILESCCCC/C(CC)=N/NC(=O)COc1ccc(C(C)CC)cc1
InChIInChI=1S/C19H30N2O2/c1-5-8-9-17(7-3)20-21-19(22)14-23-18-12-10-16(11-13-18)15(4)6-2/h10-13,15H,5-9,14H2,1-4H3,(H,21,22)/b20-17+
InChIKeyQLCDPQBDAXFZHY-LVZFUZTISA-N
XLogP4.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
CID 6231630
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
CID 41338895
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
2-(4-butan-2-ylphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135644121
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135905897

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide (CID 54785064) is 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide is CCCC/C(CC)=N/NC(=O)COc1ccc(C(C)CC)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide?
The InChIKey is QLCDPQBDAXFZHY-LVZFUZTISA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-8-9-17(7-3)20-21-19(22)14-23-18-12-10-16(11-13-18)15(4)6-2/h10-13,15H,5-9,14H2,1-4H3,(H,21,22)/b20-17+.
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide?
2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide has a molecular weight of 318.46 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide is sourced from PubChem (CID 54785064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).