N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H28N2O2 — CID 7929726

IUPACN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C2/CCCC[C@H]2C)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)16-10-9-14(3)11-18(16)23-12-19(22)21-20-17-8-6-5-7-15(17)4/h9-11,13,15H,5-8,12H2,1-4H3,(H,21,22)/b20-17-/t15-/m1/s1
InChIKeyMVUWXPVEKVCPBM-JXLCAQNNSA-N
MW316.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 7929726) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID7929726
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C2/CCCC[C@H]2C)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)16-10-9-14(3)11-18(16)23-12-19(22)21-20-17-8-6-5-7-15(17)4/h9-11,13,15H,5-8,12H2,1-4H3,(H,21,22)/b20-17-/t15-/m1/s1
InChIKeyMVUWXPVEKVCPBM-JXLCAQNNSA-N
XLogP4.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.18
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-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 1219472
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 7929758
2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
CID 3307043
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 7929726) is N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/CCCC[C@H]2C)c1.
What is the InChIKey of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is MVUWXPVEKVCPBM-JXLCAQNNSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)16-10-9-14(3)11-18(16)23-12-19(22)21-20-17-8-6-5-7-15(17)4/h9-11,13,15H,5-8,12H2,1-4H3,(H,21,22)/b20-17-/t15-/m1/s1.
What are the key properties of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 316.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7929726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).