dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium

C18H28N3O2+ — CID 9464030

IUPACdimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)CN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-20(2)16(15-9-5-3-6-10-15)13-19-17(22)14-21-12-8-4-7-11-18(21)23/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1
InChIKeyGDCUBEDQOWSOFJ-INIZCTEOSA-O
MW318.44 g/mol
LogP0.39
Rot. Bonds6

About dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium

dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium (PubChem CID 9464030) has the molecular formula C18H28N3O2+ and a molecular weight of 318.44 g/mol. Its IUPAC name is dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
PubChem CID9464030
Molecular FormulaC18H28N3O2+
Molecular Weight318.44 g/mol
Exact Mass318.22
IUPAC Namedimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)CN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-20(2)16(15-9-5-3-6-10-15)13-19-17(22)14-21-12-8-4-7-11-18(21)23/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1
InChIKeyGDCUBEDQOWSOFJ-INIZCTEOSA-O
XLogP0.39
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium with MolForge

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
CID 82009294
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium?
The IUPAC name of dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium (CID 9464030) is dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium.
What is the SMILES notation for dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium?
The canonical SMILES for dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium is C[NH+](C)[C@@H](CNC(=O)CN1CCCCCC1=O)c1ccccc1.
What is the InChIKey of dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium?
The InChIKey is GDCUBEDQOWSOFJ-INIZCTEOSA-O. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)16(15-9-5-3-6-10-15)13-19-17(22)14-21-12-8-4-7-11-18(21)23/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1.
What are the key properties of dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium?
dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium has a molecular weight of 318.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium is sourced from PubChem (CID 9464030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).