2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide

C19H24N2O2 — CID 742972

IUPAC2-(3-methylphenoxy)-N-[[(5R)-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)COc2cccc(C)c2)C1
InChIInChI=1S/C19H24N2O2/c1-13(2)16-9-8-15(4)18(11-16)20-21-19(22)12-23-17-7-5-6-14(3)10-17/h5-8,10,16H,1,9,11-12H2,2-4H3,(H,21,22)/t16-/m1/s1
InChIKeyGDRBYLYGDWJMBB-MRXNPFEDSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide

2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide (PubChem CID 742972) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
PubChem CID742972
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(3-methylphenoxy)-N-[[(5R)-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)COc2cccc(C)c2)C1
InChIInChI=1S/C19H24N2O2/c1-13(2)16-9-8-15(4)18(11-16)20-21-19(22)12-23-17-7-5-6-14(3)10-17/h5-8,10,16H,1,9,11-12H2,2-4H3,(H,21,22)/t16-/m1/s1
InChIKeyGDRBYLYGDWJMBB-MRXNPFEDSA-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-[[(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
2-(4-bromo-2-methylphenoxy)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 5433075
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
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
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
CID 90481723
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
CID 4547422

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide (CID 742972) is 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[[(5R)-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)COc2cccc(C)c2)C1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The InChIKey is GDRBYLYGDWJMBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)16-9-8-15(4)18(11-16)20-21-19(22)12-23-17-7-5-6-14(3)10-17/h5-8,10,16H,1,9,11-12H2,2-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
2-(3-methylphenoxy)-N-[[(5R)-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-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide is sourced from PubChem (CID 742972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).