tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate

C22H30N2O6 — CID 58219007

IUPACtert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CCNC(=O)C1=CC(=O)C(C)(c2ccccc2)O1
InChIInChI=1S/C22H30N2O6/c1-21(2,3)30-20(28)24-13-11-16(25)10-12-23-19(27)17-14-18(26)22(4,29-17)15-8-6-5-7-9-15/h5-9,14,16,25H,10-13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyNUGRCRBEHMZJLQ-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.17
Rot. Bonds8

About tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate

tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate (PubChem CID 58219007) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate
PubChem CID58219007
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC Nametert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(O)CCNC(=O)C1=CC(=O)C(C)(c2ccccc2)O1
InChIInChI=1S/C22H30N2O6/c1-21(2,3)30-20(28)24-13-11-16(25)10-12-23-19(27)17-14-18(26)22(4,29-17)15-8-6-5-7-9-15/h5-9,14,16,25H,10-13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyNUGRCRBEHMZJLQ-UHFFFAOYSA-N
XLogP2.17
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[4-(4-methoxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 476912
2-Pentenoic acid, (E,4S)-4-[((R)-alpha-methoxy-alpha-trifluoromethyl-alpha-phenylacetyl)amino]-, ethyl ester
CID 5375149
Ethyl (2E)-4-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]-2-pentenoate
CID 13598110
N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 22949497
[1-(2-Hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate
CID 123362537
tert-butyl N-[(1S,2S)-1-hydroxy-1-[3-(hydroxymethyl)-5-oxo-4-phenylmethoxy-2H-pyrrol-1-yl]-3-methylbutan-2-yl]carbamate
CID 178411718
2-[[(2R)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate
CID 99797130
2-[[(2S)-2-(2-fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate
CID 99797131
[(2R)-1-(3-ethoxypropylamino)-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl] benzoate
CID 101322371
2-[[2-(2-Fluorophenyl)-2-methoxypropanoyl]amino]ethyl carbamate
CID 102563093
methyl (E)-4-[[2-(2-fluorophenyl)-2-methoxypropanoyl]amino]but-2-enoate
CID 146141914
3-[[2-[4-[(E)-2-carboxyethenyl]phenyl]-2-(2-cyclopentylacetyl)oxyacetyl]amino]propanoic acid
CID 10046744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate (CID 58219007) is tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate is CC(C)(C)OC(=O)NCCC(O)CCNC(=O)C1=CC(=O)C(C)(c2ccccc2)O1.
What is the InChIKey of tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate?
The InChIKey is NUGRCRBEHMZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6/c1-21(2,3)30-20(28)24-13-11-16(25)10-12-23-19(27)17-14-18(26)22(4,29-17)15-8-6-5-7-9-15/h5-9,14,16,25H,10-13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate?
tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate has a molecular weight of 418.49 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-5-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]pentyl]carbamate is sourced from PubChem (CID 58219007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).