N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide

C20H30N2O2 — CID 4250895

IUPACN-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCC1CCC(=NNC(=O)COc2ccc(C)cc2C(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-5-16-7-9-17(10-8-16)21-22-20(23)13-24-19-11-6-15(4)12-18(19)14(2)3/h6,11-12,14,16H,5,7-10,13H2,1-4H3,(H,22,23)/b21-17-
InChIKeyRDAAYYQIBFMZSB-FXBPSFAMSA-N
MW330.47 g/mol
LogP4.57
Rot. Bonds6

About N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide

N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 4250895) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID4250895
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCC1CCC(=NNC(=O)COc2ccc(C)cc2C(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-5-16-7-9-17(10-8-16)21-22-20(23)13-24-19-11-6-15(4)12-18(19)14(2)3/h6,11-12,14,16H,5,7-10,13H2,1-4H3,(H,22,23)/b21-17-
InChIKeyRDAAYYQIBFMZSB-FXBPSFAMSA-N
XLogP4.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.57
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-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392334
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392333
N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929726
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4620122
2-(2,4-dichlorophenoxy)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7458620
2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3495541
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2391704
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 3263957

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide (CID 4250895) is N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide is CCC1CCC(=NNC(=O)COc2ccc(C)cc2C(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is RDAAYYQIBFMZSB-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-16-7-9-17(10-8-16)21-22-20(23)13-24-19-11-6-15(4)12-18(19)14(2)3/h6,11-12,14,16H,5,7-10,13H2,1-4H3,(H,22,23)/b21-17-.
What are the key properties of N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 330.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4250895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).