tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate

About tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate

tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate (PubChem CID 11761020) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate.

Molecular Properties

Compound Name	tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate
PubChem CID	11761020
Molecular Formula	C20H32N4O4
Molecular Weight	392.50 g/mol
Exact Mass	392.24
IUPAC Name	tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate
SMILES	CON(C)C(=O)CN(CCCc1ccc2c(n1)NCCC2)C(=O)OC(C)(C)C
InChI	InChI=1S/C20H32N4O4/c1-20(2,3)28-19(26)24(14-17(25)23(4)27-5)13-7-9-16-11-10-15-8-6-12-21-18(15)22-16/h10-11H,6-9,12-14H2,1-5H3,(H,21,22)
InChIKey	YJBXSJKTVFJFIE-UHFFFAOYSA-N
XLogP	2.63
TPSA	84.00 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate?

The IUPAC name of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate (CID 11761020) is tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate is CON(C)C(=O)CN(CCCc1ccc2c(n1)NCCC2)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate?

The InChIKey is YJBXSJKTVFJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-20(2,3)28-19(26)24(14-17(25)23(4)27-5)13-7-9-16-11-10-15-8-6-12-21-18(15)22-16/h10-11H,6-9,12-14H2,1-5H3,(H,21,22).

What are the key properties of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate?

tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate is sourced from PubChem (CID 11761020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).