2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride

C16H26ClN3O2 — CID 119906324

IUPAC2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-18(12-14-6-3-4-7-15(14)21-2)16(20)13-19-10-5-8-17-9-11-19;/h3-4,6-7,17H,5,8-13H2,1-2H3;1H
InChIKeyWADQNHVLONDJDK-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.37
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 119906324) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
PubChem CID119906324
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-18(12-14-6-3-4-7-15(14)21-2)16(20)13-19-10-5-8-17-9-11-19;/h3-4,6-7,17H,5,8-13H2,1-2H3;1H
InChIKeyWADQNHVLONDJDK-UHFFFAOYSA-N
XLogP1.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719305
2-(1,4-diazepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119905975
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
N-[(2-methoxyphenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62212494
2-(1,4-diazepan-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62837417
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 95351978
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride (CID 119906324) is 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride is COc1ccccc1CN(C)C(=O)CN1CCCNCC1.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is WADQNHVLONDJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-18(12-14-6-3-4-7-15(14)21-2)16(20)13-19-10-5-8-17-9-11-19;/h3-4,6-7,17H,5,8-13H2,1-2H3;1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119906324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).