N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide

C21H32N2O2 — CID 51061350

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-5-6-16-7-13-19(14-8-16)25-15-20(24)23-22-18-11-9-17(10-12-18)21(2,3)4/h7-8,13-14,17H,5-6,9-12,15H2,1-4H3,(H,23,24)/b22-18-
InChIKeyNUJUHRFNOGJDME-PYCFMQQDSA-N
MW344.50 g/mol
LogP4.73
Rot. Bonds6

About N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide

N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide (PubChem CID 51061350) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
PubChem CID51061350
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-5-6-16-7-13-19(14-8-16)25-15-20(24)23-22-18-11-9-17(10-12-18)21(2,3)4/h7-8,13-14,17H,5-6,9-12,15H2,1-4H3,(H,23,24)/b22-18-
InChIKeyNUJUHRFNOGJDME-PYCFMQQDSA-N
XLogP4.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.73
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-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 3437597
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
CID 4547422
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4620122
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 3406489
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide (CID 51061350) is N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide?
The InChIKey is NUJUHRFNOGJDME-PYCFMQQDSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-6-16-7-13-19(14-8-16)25-15-20(24)23-22-18-11-9-17(10-12-18)21(2,3)4/h7-8,13-14,17H,5-6,9-12,15H2,1-4H3,(H,23,24)/b22-18-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide has a molecular weight of 344.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 51061350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).