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

C26H34N4O8 — CID 24867961

IUPACtert-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
SMILESCC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)NC1COC2CC(n3ccc(=O)[nH]c3=O)OC12
InChIInChI=1S/C26H34N4O8/c1-15(35-13-16-8-6-5-7-9-16)21(29-25(34)38-26(2,3)4)23(32)27-17-14-36-18-12-20(37-22(17)18)30-11-10-19(31)28-24(30)33/h5-11,15,17-18,20-22H,12-14H2,1-4H3,(H,27,32)(H,29,34)(H,28,31,33)
InChIKeyXOOFRCQZUWNQQU-UHFFFAOYSA-N
MW530.58 g/mol
LogP1.21
Rot. Bonds8

About 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

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 (PubChem CID 24867961) has the molecular formula C26H34N4O8 and a molecular weight of 530.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID24867961
Molecular FormulaC26H34N4O8
Molecular Weight530.58 g/mol
Exact Mass530.24
IUPAC Nametert-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
SMILESCC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)NC1COC2CC(n3ccc(=O)[nH]c3=O)OC12
InChIInChI=1S/C26H34N4O8/c1-15(35-13-16-8-6-5-7-9-16)21(29-25(34)38-26(2,3)4)23(32)27-17-14-36-18-12-20(37-22(17)18)30-11-10-19(31)28-24(30)33/h5-11,15,17-18,20-22H,12-14H2,1-4H3,(H,27,32)(H,29,34)(H,28,31,33)
InChIKeyXOOFRCQZUWNQQU-UHFFFAOYSA-N
XLogP1.21
TPSA149.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11962031
methyl (2R)-2-[(3S,5R)-2-benzyl-5-(2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10718782
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
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 5326138
tert-butyl N-(5,5-dimethyl-4-oxo-2-phenylmethoxyhexan-3-yl)carbamate
CID 165468060
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
tert-butyl N-[(2S,3R)-1-(4-methoxyanilino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 2218191
tert-butyl N-(6-methyl-4-oxo-2-phenylmethoxyheptan-3-yl)carbamate
CID 165464974
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 10415420

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)NC1COC2CC(n3ccc(=O)[nH]c3=O)OC12.
What is the InChIKey of 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?
The InChIKey is XOOFRCQZUWNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O8/c1-15(35-13-16-8-6-5-7-9-16)21(29-25(34)38-26(2,3)4)23(32)27-17-14-36-18-12-20(37-22(17)18)30-11-10-19(31)28-24(30)33/h5-11,15,17-18,20-22H,12-14H2,1-4H3,(H,27,32)(H,29,34)(H,28,31,33).
What are the key properties of 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?
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 has a molecular weight of 530.58 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24867961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).