tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate

C17H26N4O5 — CID 139311785

IUPACtert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate
SMILESC[C@H](COc1ccc(C(=O)NN)cc1N(C)C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N4O5/c1-11(19-16(24)26-17(2,3)4)9-25-14-7-6-12(15(23)20-18)8-13(14)21(5)10-22/h6-8,10-11H,9,18H2,1-5H3,(H,19,24)(H,20,23)/t11-/m1/s1
InChIKeyVDOZOYZKJIXWQG-LLVKDONJSA-N
MW366.42 g/mol
LogP1.17
Rot. Bonds7

About tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate (PubChem CID 139311785) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate
PubChem CID139311785
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Nametert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate
SMILESC[C@H](COc1ccc(C(=O)NN)cc1N(C)C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N4O5/c1-11(19-16(24)26-17(2,3)4)9-25-14-7-6-12(15(23)20-18)8-13(14)21(5)10-22/h6-8,10-11H,9,18H2,1-5H3,(H,19,24)(H,20,23)/t11-/m1/s1
InChIKeyVDOZOYZKJIXWQG-LLVKDONJSA-N
XLogP1.17
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[formyl(methyl)amino]-4-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]-N-methylcarbamate
CID 135191882
4-[(2R)-2-[(5-benzyl-1,2-oxazole-3-carbonyl)amino]propoxy]-3-[formyl(methyl)amino]benzoic acid
CID 134354057
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate
CID 110315248
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
CID 123462031
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859
tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
tert-butyl N-[(2R)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate
CID 123965004
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate (CID 139311785) is tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate is C[C@H](COc1ccc(C(=O)NN)cc1N(C)C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate?
The InChIKey is VDOZOYZKJIXWQG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-11(19-16(24)26-17(2,3)4)9-25-14-7-6-12(15(23)20-18)8-13(14)21(5)10-22/h6-8,10-11H,9,18H2,1-5H3,(H,19,24)(H,20,23)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate is sourced from PubChem (CID 139311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).