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

C19H27ClN2O2 — CID 4620122

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H27ClN2O2/c1-13-11-15(20)7-10-17(13)24-12-18(23)22-21-16-8-5-14(6-9-16)19(2,3)4/h7,10-11,14H,5-6,8-9,12H2,1-4H3,(H,22,23)/b21-16-
InChIKeyHGASGRHJBSKZTK-PGMHBOJBSA-N
MW350.89 g/mol
LogP4.74
Rot. Bonds4

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

N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 4620122) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID4620122
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H27ClN2O2/c1-13-11-15(20)7-10-17(13)24-12-18(23)22-21-16-8-5-14(6-9-16)19(2,3)4/h7,10-11,14H,5-6,8-9,12H2,1-4H3,(H,22,23)/b21-16-
InChIKeyHGASGRHJBSKZTK-PGMHBOJBSA-N
XLogP4.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.74
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-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 3263957
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9317266
N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3441069
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
CID 4547422
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-propylphenoxy)acetamide
CID 51061350
2-(2,4-dichlorophenoxy)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7458620
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide
CID 17338162
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869894
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
CID 5161966

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide (CID 4620122) is N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)NN=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is HGASGRHJBSKZTK-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-13-11-15(20)7-10-17(13)24-12-18(23)22-21-16-8-5-14(6-9-16)19(2,3)4/h7,10-11,14H,5-6,8-9,12H2,1-4H3,(H,22,23)/b21-16-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 350.89 g/mol, XLogP of 4.74, 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-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 4620122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).