2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide

C15H23N3O — CID 43162514

IUPAC2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCCNCC1
InChIInChI=1S/C15H23N3O/c1-12-5-3-6-13(2)15(12)17-14(19)11-18-9-4-7-16-8-10-18/h3,5-6,16H,4,7-11H2,1-2H3,(H,17,19)
InChIKeyAVENPFDXVLPHEG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.54
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 43162514) 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-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID43162514
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCCNCC1
InChIInChI=1S/C15H23N3O/c1-12-5-3-6-13(2)15(12)17-14(19)11-18-9-4-7-16-8-10-18/h3,5-6,16H,4,7-11H2,1-2H3,(H,17,19)
InChIKeyAVENPFDXVLPHEG-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-(1,4-diazepan-1-yl)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 79100773
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(2-chloro-4,6-dimethylphenyl)-2-(1,4-diazepan-1-yl)acetamide;hydrochloride
CID 119906736
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906204
N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide
CID 11724529
N-(2,6-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 119833358
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide (CID 43162514) is 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is AVENPFDXVLPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-3-6-13(2)15(12)17-14(19)11-18-9-4-7-16-8-10-18/h3,5-6,16H,4,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 43162514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).