tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate

C28H37N5O8 — CID 24867922

IUPACtert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
SMILESCC(=O)Nc1ccn(C2CC3OCC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)OCc4ccccc4)C3O2)c(=O)n1
InChIInChI=1S/C28H37N5O8/c1-16(38-14-18-9-7-6-8-10-18)23(32-27(37)41-28(3,4)5)25(35)30-19-15-39-20-13-22(40-24(19)20)33-12-11-21(29-17(2)34)31-26(33)36/h6-12,16,19-20,22-24H,13-15H2,1-5H3,(H,30,35)(H,32,37)(H,29,31,34,36)
InChIKeyKSOUORGQXKPQCO-UHFFFAOYSA-N
MW571.63 g/mol
LogP1.87
Rot. Bonds9

About tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate

tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate (PubChem CID 24867922) has the molecular formula C28H37N5O8 and a molecular weight of 571.63 g/mol. Its IUPAC name is tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
PubChem CID24867922
Molecular FormulaC28H37N5O8
Molecular Weight571.63 g/mol
Exact Mass571.26
IUPAC Nametert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
SMILESCC(=O)Nc1ccn(C2CC3OCC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)OCc4ccccc4)C3O2)c(=O)n1
InChIInChI=1S/C28H37N5O8/c1-16(38-14-18-9-7-6-8-10-18)23(32-27(37)41-28(3,4)5)25(35)30-19-15-39-20-13-22(40-24(19)20)33-12-11-21(29-17(2)34)31-26(33)36/h6-12,16,19-20,22-24H,13-15H2,1-5H3,(H,30,35)(H,32,37)(H,29,31,34,36)
InChIKeyKSOUORGQXKPQCO-UHFFFAOYSA-N
XLogP1.87
TPSA159.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.63
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[[5-(2,4-dioxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 24867961
N-[2-oxo-1-[(2S,4S)-2-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pyrimidin-4-yl]acetamide
CID 11002465
tert-butyl N-[(2S,3R)-1-(4-methoxyanilino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 2218191
tert-butyl N-(5,5-dimethyl-4-oxo-2-phenylmethoxyhexan-3-yl)carbamate
CID 165468060
tert-butyl N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylmethoxybutan-2-yl]carbamate
CID 648722
tert-butyl N-[(2S,3R)-1-(benzylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7201499
tert-butyl N-[(2S,3R)-1-oxo-3-phenylmethoxy-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 2213521
tert-butyl N-(6-methyl-4-oxo-2-phenylmethoxyheptan-3-yl)carbamate
CID 165464974
tert-butyl N-[(2S,3S)-1-amino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7035922
tert-butyl N-[(2R,3S)-6-(1,3-dioxolan-2-yl)-4-oxo-2-phenylmethoxyhexan-3-yl]carbamate
CID 11728933
N-[2-oxo-1-[(2R,5R)-2-(phenylmethoxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-4-yl]acetamide
CID 11360415
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate (CID 24867922) is tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate is CC(=O)Nc1ccn(C2CC3OCC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)OCc4ccccc4)C3O2)c(=O)n1.
What is the InChIKey of tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate?
The InChIKey is KSOUORGQXKPQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O8/c1-16(38-14-18-9-7-6-8-10-18)23(32-27(37)41-28(3,4)5)25(35)30-19-15-39-20-13-22(40-24(19)20)33-12-11-21(29-17(2)34)31-26(33)36/h6-12,16,19-20,22-24H,13-15H2,1-5H3,(H,30,35)(H,32,37)(H,29,31,34,36).
What are the key properties of tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate?
tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate has a molecular weight of 571.63 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[5-(4-acetamido-2-oxopyrimidin-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate is sourced from PubChem (CID 24867922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).