tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate

C18H30N4O5 — CID 67471526

IUPACtert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
SMILESCCCCOc1c(C(=O)NCCN(C)C(=O)OC(C)(C)C)n(N)ccc1=O
InChIInChI=1S/C18H30N4O5/c1-6-7-12-26-15-13(23)8-10-22(19)14(15)16(24)20-9-11-21(5)17(25)27-18(2,3)4/h8,10H,6-7,9,11-12,19H2,1-5H3,(H,20,24)
InChIKeyLXKQDAMVGPQJGQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.34
Rot. Bonds8

About tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate (PubChem CID 67471526) has the molecular formula C18H30N4O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
PubChem CID67471526
Molecular FormulaC18H30N4O5
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC Nametert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
SMILESCCCCOc1c(C(=O)NCCN(C)C(=O)OC(C)(C)C)n(N)ccc1=O
InChIInChI=1S/C18H30N4O5/c1-6-7-12-26-15-13(23)8-10-22(19)14(15)16(24)20-9-11-21(5)17(25)27-18(2,3)4/h8,10H,6-7,9,11-12,19H2,1-5H3,(H,20,24)
InChIKeyLXKQDAMVGPQJGQ-UHFFFAOYSA-N
XLogP1.34
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate (CID 67471526) is tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate is CCCCOc1c(C(=O)NCCN(C)C(=O)OC(C)(C)C)n(N)ccc1=O.
What is the InChIKey of tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is LXKQDAMVGPQJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O5/c1-6-7-12-26-15-13(23)8-10-22(19)14(15)16(24)20-9-11-21(5)17(25)27-18(2,3)4/h8,10H,6-7,9,11-12,19H2,1-5H3,(H,20,24).
What are the key properties of tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 382.46 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 67471526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).