tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C24H35N3O5 — CID 139453487

IUPACtert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCCOC(=O)CCNC(=O)C1CC(Cc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1
InChIInChI=1S/C24H35N3O5/c1-5-31-20(28)10-11-25-22(29)18-13-16(14-18)15-19-9-8-17-7-6-12-27(21(17)26-19)23(30)32-24(2,3)4/h8-9,16,18H,5-7,10-15H2,1-4H3,(H,25,29)
InChIKeyIRAUZLCNXRALPL-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.41
Rot. Bonds7

About tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 139453487) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID139453487
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Nametert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCCOC(=O)CCNC(=O)C1CC(Cc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1
InChIInChI=1S/C24H35N3O5/c1-5-31-20(28)10-11-25-22(29)18-13-16(14-18)15-19-9-8-17-7-6-12-27(21(17)26-19)23(30)32-24(2,3)4/h8-9,16,18H,5-7,10-15H2,1-4H3,(H,25,29)
InChIKeyIRAUZLCNXRALPL-UHFFFAOYSA-N
XLogP3.41
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 139453487) is tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CCOC(=O)CCNC(=O)C1CC(Cc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1.
What is the InChIKey of tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is IRAUZLCNXRALPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-5-31-20(28)10-11-25-22(29)18-13-16(14-18)15-19-9-8-17-7-6-12-27(21(17)26-19)23(30)32-24(2,3)4/h8-9,16,18H,5-7,10-15H2,1-4H3,(H,25,29).
What are the key properties of tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 445.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]cyclobutyl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 139453487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).