4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride

C16H32ClN3O6 — CID 3088117

IUPAC4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H31N3O6.ClH/c17-3-1-2-15(20)18-14-16(21)19-4-6-22-8-10-24-12-13-25-11-9-23-7-5-19;/h1-14,17H2,(H,18,20);1H
InChIKeyHRUZPCPCCPFMPC-UHFFFAOYSA-N
MW397.90 g/mol
LogP-0.83
Rot. Bonds5

About 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride

4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride (PubChem CID 3088117) has the molecular formula C16H32ClN3O6 and a molecular weight of 397.90 g/mol. Its IUPAC name is 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride
PubChem CID3088117
Molecular FormulaC16H32ClN3O6
Molecular Weight397.90 g/mol
Exact Mass397.20
IUPAC Name4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H31N3O6.ClH/c17-3-1-2-15(20)18-14-16(21)19-4-6-22-8-10-24-12-13-25-11-9-23-7-5-19;/h1-14,17H2,(H,18,20);1H
InChIKeyHRUZPCPCCPFMPC-UHFFFAOYSA-N
XLogP-0.83
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride (CID 3088117) is 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride?
The InChIKey is HRUZPCPCCPFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O6.ClH/c17-3-1-2-15(20)18-14-16(21)19-4-6-22-8-10-24-12-13-25-11-9-23-7-5-19;/h1-14,17H2,(H,18,20);1H.
What are the key properties of 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 3088117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).