2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide

C16H24N2O2 — CID 9316036

IUPAC2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide
SMILESCC[C@@H](C)/C(C)=N\NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C16H24N2O2/c1-6-12(3)14(5)17-18-16(19)10-20-15-9-11(2)7-8-13(15)4/h7-9,12H,6,10H2,1-5H3,(H,18,19)/b17-14-/t12-/m1/s1
InChIKeyGWRCBKBDHKBEMC-OFWFEXPASA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide

2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide (PubChem CID 9316036) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide
PubChem CID9316036
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide
SMILESCC[C@@H](C)/C(C)=N\NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C16H24N2O2/c1-6-12(3)14(5)17-18-16(19)10-20-15-9-11(2)7-8-13(15)4/h7-9,12H,6,10H2,1-5H3,(H,18,19)/b17-14-/t12-/m1/s1
InChIKeyGWRCBKBDHKBEMC-OFWFEXPASA-N
XLogP3.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
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-(2-methoxyphenoxy)-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]acetamide
CID 9315778
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
2-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
CID 7984935
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316065

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide (CID 9316036) is 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide is CC[C@@H](C)/C(C)=N\NC(=O)COc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide?
The InChIKey is GWRCBKBDHKBEMC-OFWFEXPASA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-12(3)14(5)17-18-16(19)10-20-15-9-11(2)7-8-13(15)4/h7-9,12H,6,10H2,1-5H3,(H,18,19)/b17-14-/t12-/m1/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide?
2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide is sourced from PubChem (CID 9316036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).