2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide

C19H28N2O3 — CID 4196468

IUPAC2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
SMILESCCCCOc1ccc(OCC(=O)NN=C2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-4-13-23-17-9-11-18(12-10-17)24-14-19(22)21-20-16-7-5-15(2)6-8-16/h9-12,15H,3-8,13-14H2,1-2H3,(H,21,22)/b20-16-
InChIKeyUTFGQIBRYZIHDE-SILNSSARSA-N
MW332.44 g/mol
LogP3.93
Rot. Bonds8

About 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide

2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide (PubChem CID 4196468) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
PubChem CID4196468
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
SMILESCCCCOc1ccc(OCC(=O)NN=C2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-4-13-23-17-9-11-18(12-10-17)24-14-19(22)21-20-16-7-5-15(2)6-8-16/h9-12,15H,3-8,13-14H2,1-2H3,(H,21,22)/b20-16-
InChIKeyUTFGQIBRYZIHDE-SILNSSARSA-N
XLogP3.93
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.93
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

2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
CID 51061350
2-(2-methoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9315773
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 3437597
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6916225

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide (CID 4196468) is 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide is CCCCOc1ccc(OCC(=O)NN=C2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
The InChIKey is UTFGQIBRYZIHDE-SILNSSARSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-4-13-23-17-9-11-18(12-10-17)24-14-19(22)21-20-16-7-5-15(2)6-8-16/h9-12,15H,3-8,13-14H2,1-2H3,(H,21,22)/b20-16-.
What are the key properties of 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 4196468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).