N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide

C19H28N2O2 — CID 4547422

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-14-6-5-7-17(12-14)23-13-18(22)21-20-16-10-8-15(9-11-16)19(2,3)4/h5-7,12,15H,8-11,13H2,1-4H3,(H,21,22)/b20-16-
InChIKeyQZZAQOPZQRERTB-SILNSSARSA-N
MW316.44 g/mol
LogP4.08
Rot. Bonds4

About N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide

N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide (PubChem CID 4547422) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
PubChem CID4547422
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-14-6-5-7-17(12-14)23-13-18(22)21-20-16-10-8-15(9-11-16)19(2,3)4/h5-7,12,15H,8-11,13H2,1-4H3,(H,21,22)/b20-16-
InChIKeyQZZAQOPZQRERTB-SILNSSARSA-N
XLogP4.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.08
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

N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
CID 51061350
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4620122
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
CID 90481723
2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 3437597
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742972

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide (CID 4547422) is N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide?
The InChIKey is QZZAQOPZQRERTB-SILNSSARSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-6-5-7-17(12-14)23-13-18(22)21-20-16-10-8-15(9-11-16)19(2,3)4/h5-7,12,15H,8-11,13H2,1-4H3,(H,21,22)/b20-16-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide has a molecular weight of 316.44 g/mol, XLogP of 4.08, 4 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 4547422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).