2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide

C15H23N3O — CID 62833998

IUPAC2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1N(C)C(=O)CN1CCCNCC1
InChIInChI=1S/C15H23N3O/c1-13-6-3-4-7-14(13)17(2)15(19)12-18-10-5-8-16-9-11-18/h3-4,6-7,16H,5,8-12H2,1-2H3
InChIKeyMWOLRNUFHKTCAF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.25
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide

2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide (PubChem CID 62833998) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
PubChem CID62833998
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1N(C)C(=O)CN1CCCNCC1
InChIInChI=1S/C15H23N3O/c1-13-6-3-4-7-14(13)17(2)15(19)12-18-10-5-8-16-9-11-18/h3-4,6-7,16H,5,8-12H2,1-2H3
InChIKeyMWOLRNUFHKTCAF-UHFFFAOYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62982489
2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 107734552
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide (CID 62833998) is 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide is Cc1ccccc1N(C)C(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide?
The InChIKey is MWOLRNUFHKTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-6-3-4-7-14(13)17(2)15(19)12-18-10-5-8-16-9-11-18/h3-4,6-7,16H,5,8-12H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 62833998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).