2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride

C17H28ClN3O — CID 119906370

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCc1cccc(C(C)C)c1NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(2)15-7-4-6-14(3)17(15)19-16(21)12-20-10-5-8-18-9-11-20;/h4,6-7,13,18H,5,8-12H2,1-3H3,(H,19,21);1H
InChIKeyUSKBWHYXKXMDCR-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.77
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 119906370) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID119906370
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCc1cccc(C(C)C)c1NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(2)15-7-4-6-14(3)17(15)19-16(21)12-20-10-5-8-18-9-11-20;/h4,6-7,13,18H,5,8-12H2,1-3H3,(H,19,21);1H
InChIKeyUSKBWHYXKXMDCR-UHFFFAOYSA-N
XLogP2.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 34425742
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-(3-fluorophenyl)-2-[4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433537
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 91838347
2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 91829375
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride (CID 119906370) is 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride is Cc1cccc(C(C)C)c1NC(=O)CN1CCCNCC1.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is USKBWHYXKXMDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-13(2)15-7-4-6-14(3)17(15)19-16(21)12-20-10-5-8-18-9-11-20;/h4,6-7,13,18H,5,8-12H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.77, 4 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-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119906370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).