tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium

C21H30N3O2+ — CID 9089882

IUPACtert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium
SMILESCC(C)(C)[NH2+]CCCNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-21(2,3)24-13-7-12-22-20(26)15-23-19(25)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,24H,7,12-15H2,1-3H3,(H,22,26)(H,23,25)/p+1
InChIKeyHINVMXUFLLXSFD-UHFFFAOYSA-O
MW356.49 g/mol
LogP1.37
Rot. Bonds8

About tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium

tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium (PubChem CID 9089882) has the molecular formula C21H30N3O2+ and a molecular weight of 356.49 g/mol. Its IUPAC name is tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium.

Molecular Properties

Compound Nametert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium
PubChem CID9089882
Molecular FormulaC21H30N3O2+
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Nametert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium
SMILESCC(C)(C)[NH2+]CCCNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-21(2,3)24-13-7-12-22-20(26)15-23-19(25)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,24H,7,12-15H2,1-3H3,(H,22,26)(H,23,25)/p+1
InChIKeyHINVMXUFLLXSFD-UHFFFAOYSA-O
XLogP1.37
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium with MolForge

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Related Compounds

N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium?
The IUPAC name of tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium (CID 9089882) is tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium.
What is the SMILES notation for tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium?
The canonical SMILES for tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium is CC(C)(C)[NH2+]CCCNC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium?
The InChIKey is HINVMXUFLLXSFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29N3O2/c1-21(2,3)24-13-7-12-22-20(26)15-23-19(25)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,24H,7,12-15H2,1-3H3,(H,22,26)(H,23,25)/p+1.
What are the key properties of tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium?
tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium has a molecular weight of 356.49 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium is sourced from PubChem (CID 9089882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).