2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide

C19H24N2O2 — CID 742959

IUPAC2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
SMILESC=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(C)cc2)C1
InChIInChI=1S/C19H24N2O2/c1-13(2)16-8-7-15(4)18(11-16)20-21-19(22)12-23-17-9-5-14(3)6-10-17/h5-7,9-10,16H,1,8,11-12H2,2-4H3,(H,21,22)/t16-/m0/s1
InChIKeyVEDADSDCXQAJLF-INIZCTEOSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide

2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide (PubChem CID 742959) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
PubChem CID742959
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
SMILESC=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(C)cc2)C1
InChIInChI=1S/C19H24N2O2/c1-13(2)16-8-7-15(4)18(11-16)20-21-19(22)12-23-17-9-5-14(3)6-10-17/h5-7,9-10,16H,1,8,11-12H2,2-4H3,(H,21,22)/t16-/m0/s1
InChIKeyVEDADSDCXQAJLF-INIZCTEOSA-N
XLogP3.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742972
2-(3-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742967
2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 3305379
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 6122662
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
2-(4-bromo-2-methylphenoxy)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 5433075
2-(2-chloroanilino)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 25367751
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea
CID 738962
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(E)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]urea
CID 71717411
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide (CID 742959) is 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide is C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(C)cc2)C1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The InChIKey is VEDADSDCXQAJLF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)16-8-7-15(4)18(11-16)20-21-19(22)12-23-17-9-5-14(3)6-10-17/h5-7,9-10,16H,1,8,11-12H2,2-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide is sourced from PubChem (CID 742959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).