2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide

C19H29N3O2 — CID 171327747

IUPAC2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-6-8-16(9-7-15)20-17(23)14-21-10-5-11-22(13-12-21)18(24)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyFDONJTJUKQUJKG-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 171327747) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID171327747
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-6-8-16(9-7-15)20-17(23)14-21-10-5-11-22(13-12-21)18(24)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyFDONJTJUKQUJKG-UHFFFAOYSA-N
XLogP2.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
CID 162725444
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
tert-butyl 4-[2-(3-methylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 171130205
2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115509
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide (CID 171327747) is 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is FDONJTJUKQUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-6-8-16(9-7-15)20-17(23)14-21-10-5-11-22(13-12-21)18(24)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 171327747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).