methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate

C22H27N3O5 — CID 47985288

IUPACmethyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate
SMILESCOC(=O)NC(CC(C)C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H27N3O5/c1-15(2)13-18(23-22(28)29-3)21(27)25-24-20(26)14-30-19-12-8-7-11-17(19)16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyUFEMHVMQDLKTSV-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.65
Rot. Bonds8

About methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate

methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate (PubChem CID 47985288) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate
PubChem CID47985288
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Namemethyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate
SMILESCOC(=O)NC(CC(C)C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H27N3O5/c1-15(2)13-18(23-22(28)29-3)21(27)25-24-20(26)14-30-19-12-8-7-11-17(19)16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyUFEMHVMQDLKTSV-UHFFFAOYSA-N
XLogP2.65
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942
[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]urea
CID 7613261
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
[(2R)-4-methylsulfanyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butan-2-yl]urea
CID 9470460
(2S)-2-phenyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 7978392
(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid
CID 9157386

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate?
The IUPAC name of methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate (CID 47985288) is methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate?
The canonical SMILES for methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate is COC(=O)NC(CC(C)C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate?
The InChIKey is UFEMHVMQDLKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15(2)13-18(23-22(28)29-3)21(27)25-24-20(26)14-30-19-12-8-7-11-17(19)16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate?
methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate has a molecular weight of 413.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate is sourced from PubChem (CID 47985288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).