N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene

C66H76N4O6S — CID 161425662

About N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene

N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene (PubChem CID 161425662) has the molecular formula C66H76N4O6S and a molecular weight of 1053.42 g/mol. Its IUPAC name is N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene.

Molecular Properties

• Compound Name: N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene
• PubChem CID: 161425662
• Molecular Formula: C66H76N4O6S
• Molecular Weight: 1053.42 g/mol
• Exact Mass: 1052.55
• IUPAC Name: N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene
• SMILES: CCOc1ccc2cc(C)ccc2c1.Cc1ccc(C=O)o1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C(=O)NC2CC2)c1.Cc1cccc(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1
• InChI: InChI=1S/C13H14O.C12H15NO2.C11H13NO.C9H8S.C8H10.C7H10N2.C6H6O2/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;1-8-3-2-4-9(7-8)11(13)12-10-5-6-10;1-7-6-10-9-5-3-2-4-8(7)9;1-7-4-3-5-8(2)6-7;1-5-4-8-7(3)9-6(5)2;1-5-2-3-6(4-7)8-5/h4-9H,3H2,1-2H3;2-4,9H,5-8H2,1H3;2-4,7,10H,5-6H2,1H3,(H,12,13);2-6H,1H3;3-6H,1-2H3;4H,1-3H3;2-4H,1H3
• InChIKey: VXIAFMFPHLYSKD-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 123.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.42
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene?

The IUPAC name of N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene (CID 161425662) is N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene.

What is the SMILES notation for N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene?

The canonical SMILES for N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene is CCOc1ccc2cc(C)ccc2c1.Cc1ccc(C=O)o1.Cc1cccc(C(=O)N2CCOCC2)c1.Cc1cccc(C(=O)NC2CC2)c1.Cc1cccc(C)c1.Cc1csc2ccccc12.Cc1ncc(C)c(C)n1.

What is the InChIKey of N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene?

The InChIKey is VXIAFMFPHLYSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.C12H15NO2.C11H13NO.C9H8S.C8H10.C7H10N2.C6H6O2/c1-3-14-13-7-6-11-8-10(2)4-5-12(11)9-13;1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13;1-8-3-2-4-9(7-8)11(13)12-10-5-6-10;1-7-6-10-9-5-3-2-4-8(7)9;1-7-4-3-5-8(2)6-7;1-5-4-8-7(3)9-6(5)2;1-5-2-3-6(4-7)8-5/h4-9H,3H2,1-2H3;2-4,9H,5-8H2,1H3;2-4,7,10H,5-6H2,1H3,(H,12,13);2-6H,1H3;3-6H,1-2H3;4H,1-3H3;2-4H,1H3.

What are the key properties of N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene?

N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene has a molecular weight of 1053.42 g/mol, XLogP of 15.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-methylbenzamide;2-ethoxy-6-methylnaphthalene;3-methyl-1-benzothiophene;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;2,4,5-trimethylpyrimidine;1,3-xylene is sourced from PubChem (CID 161425662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).