tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate

C26H34N2O4 — CID 58525766

IUPACtert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate
SMILESCC(=O)CCCc1ccc(CC(=O)[C@@H](Cc2ccc(C)cn2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H34N2O4/c1-18-9-14-22(27-17-18)16-23(28-25(31)32-26(3,4)5)24(30)15-21-12-10-20(11-13-21)8-6-7-19(2)29/h9-14,17,23H,6-8,15-16H2,1-5H3,(H,28,31)/t23-/m1/s1
InChIKeyNWNJCPLYEQQNEB-HSZRJFAPSA-N
MW438.57 g/mol
LogP4.55
Rot. Bonds10

About tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate

tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate (PubChem CID 58525766) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate
PubChem CID58525766
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Nametert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate
SMILESCC(=O)CCCc1ccc(CC(=O)[C@@H](Cc2ccc(C)cn2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H34N2O4/c1-18-9-14-22(27-17-18)16-23(28-25(31)32-26(3,4)5)24(30)15-21-12-10-20(11-13-21)8-6-7-19(2)29/h9-14,17,23H,6-8,15-16H2,1-5H3,(H,28,31)/t23-/m1/s1
InChIKeyNWNJCPLYEQQNEB-HSZRJFAPSA-N
XLogP4.55
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate with MolForge

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate
CID 118017216
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-oxopentyl)phenyl]propanoic acid
CID 68898546
4-[4-amino-5-(5-hydroxy-2-pyridinyl)-3-oxopentyl]-N-hydroxybenzamide;tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-hydroxy-2-pyridinyl)-3-oxopentan-2-yl]carbamate;[4-[4-(hydroxyamino)-4-oxobutyl]phenyl] 2-amino-3-(5-hydroxy-2-pyridinyl)propanoate;[4-[4-(hydroxyamino)-4-oxobutyl]phenyl] 2-amino-3-(5-methyl-2-pyridinyl)propanoate;[4-[4-(hydroxyamino)-4-oxobutyl]phenyl] 3-(5-hydroxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([4-[4-(hydroxyamino)-4-oxobutyl]phenyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoate)
CID 161409587
tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
CID 68888242
tert-butyl 4-[(3S)-4-(4-aminophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxobutyl]benzoate
CID 162041582
[6-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-3-pyridinyl]boronic acid
CID 123302805
ethane;3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 176967438
2-bromo-5-methylpyridine;methyl (2S)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 158085665
[4-[4-(oxan-2-yloxyamino)-4-oxobutyl]phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenylmethoxy-2-pyridinyl)propanoate
CID 87232362
(2S)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154814740
ethyl (2S)-3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 89458542
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate (CID 58525766) is tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate is CC(=O)CCCc1ccc(CC(=O)[C@@H](Cc2ccc(C)cn2)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate?
The InChIKey is NWNJCPLYEQQNEB-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18-9-14-22(27-17-18)16-23(28-25(31)32-26(3,4)5)24(30)15-21-12-10-20(11-13-21)8-6-7-19(2)29/h9-14,17,23H,6-8,15-16H2,1-5H3,(H,28,31)/t23-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate has a molecular weight of 438.57 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(5-methyl-2-pyridinyl)-3-oxo-4-[4-(4-oxopentyl)phenyl]butan-2-yl]carbamate is sourced from PubChem (CID 58525766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).