methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)

C112H132N6O20 — CID 161276136

About methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)

methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate) (PubChem CID 161276136) has the molecular formula C112H132N6O20 and a molecular weight of 1882.31 g/mol. Its IUPAC name is methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate).

Molecular Properties

• Compound Name: methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)
• PubChem CID: 161276136
• Molecular Formula: C112H132N6O20
• Molecular Weight: 1882.31 g/mol
• Exact Mass: 1880.95
• IUPAC Name: methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)
• SMILES: CCOc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C.CCc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(C2CC2)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1C
• InChI: InChI=1S/C20H23NO3.C19H23NO4.C19H23NO3.C18H21NO4.2C18H21NO3/c1-13-7-10-19(14(2)11-13)24-12-17-16(15-8-9-15)5-4-6-18(17)21-20(22)23-3;1-5-23-18-8-6-7-16(20-19(21)22-4)15(18)12-24-17-10-9-13(2)11-14(17)3;1-5-15-7-6-8-17(20-19(21)22-4)16(15)12-23-18-10-9-13(2)11-14(18)3;1-12-7-8-17(13(2)9-12)23-11-15-14(10-20)5-4-6-16(15)19-18(21)22-3;2*1-12-8-9-17(14(3)10-12)22-11-15-13(2)6-5-7-16(15)19-18(20)21-4/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,21,22);6-11H,5,12H2,1-4H3,(H,20,21);6-11H,5,12H2,1-4H3,(H,20,21);4-9,20H,10-11H2,1-3H3,(H,19,21);2*5-10H,11H2,1-4H3,(H,19,20)
• InChIKey: VELSBGAVQBPHEP-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 314.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.31
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)?

The IUPAC name of methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate) (CID 161276136) is methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate).

What is the SMILES notation for methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)?

The canonical SMILES for methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate) is CCOc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C.CCc1cccc(NC(=O)OC)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(C)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(C2CC2)c1COc1ccc(C)cc1C.COC(=O)Nc1cccc(CO)c1COc1ccc(C)cc1C.

What is the InChIKey of methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)?

The InChIKey is VELSBGAVQBPHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.C19H23NO4.C19H23NO3.C18H21NO4.2C18H21NO3/c1-13-7-10-19(14(2)11-13)24-12-17-16(15-8-9-15)5-4-6-18(17)21-20(22)23-3;1-5-23-18-8-6-7-16(20-19(21)22-4)15(18)12-24-17-10-9-13(2)11-14(17)3;1-5-15-7-6-8-17(20-19(21)22-4)16(15)12-23-18-10-9-13(2)11-14(18)3;1-12-7-8-17(13(2)9-12)23-11-15-14(10-20)5-4-6-16(15)19-18(21)22-3;2*1-12-8-9-17(14(3)10-12)22-11-15-13(2)6-5-7-16(15)19-18(20)21-4/h4-7,10-11,15H,8-9,12H2,1-3H3,(H,21,22);6-11H,5,12H2,1-4H3,(H,20,21);6-11H,5,12H2,1-4H3,(H,20,21);4-9,20H,10-11H2,1-3H3,(H,19,21);2*5-10H,11H2,1-4H3,(H,19,20).

What are the key properties of methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate)?

methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate) has a molecular weight of 1882.31 g/mol, XLogP of 26.31, 29 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]carbamate;bis(methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate) is sourced from PubChem (CID 161276136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).