1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one

C15H22N2O2 — CID 63258780

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
SMILESCOc1ccc(C)cc1CN1CCCNC(C)C1=O
InChIInChI=1S/C15H22N2O2/c1-11-5-6-14(19-3)13(9-11)10-17-8-4-7-16-12(2)15(17)18/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyILJCSZKJEOVDRG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one

1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one (PubChem CID 63258780) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
PubChem CID63258780
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
SMILESCOc1ccc(C)cc1CN1CCCNC(C)C1=O
InChIInChI=1S/C15H22N2O2/c1-11-5-6-14(19-3)13(9-11)10-17-8-4-7-16-12(2)15(17)18/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyILJCSZKJEOVDRG-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884536
1-[(3,4-difluorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 82929772
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 55169367
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 62160462
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221
3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 64832813
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361687
1-[(5-amino-2-methoxyphenyl)methyl]imidazolidin-2-one
CID 61014700
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one (CID 63258780) is 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one is COc1ccc(C)cc1CN1CCCNC(C)C1=O.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one?
The InChIKey is ILJCSZKJEOVDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-6-14(19-3)13(9-11)10-17-8-4-7-16-12(2)15(17)18/h5-6,9,12,16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one?
1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 63258780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).