tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate

C18H25Cl2N3O5 — CID 55560475

IUPACtert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H25Cl2N3O5/c1-11(21-17(26)28-18(2,3)4)16(25)23-22-15(24)6-5-9-27-14-8-7-12(19)10-13(14)20/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyNCVIFYVBKRCHRH-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.21
Rot. Bonds7

About tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 55560475) has the molecular formula C18H25Cl2N3O5 and a molecular weight of 434.32 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID55560475
Molecular FormulaC18H25Cl2N3O5
Molecular Weight434.32 g/mol
Exact Mass433.12
IUPAC Nametert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H25Cl2N3O5/c1-11(21-17(26)28-18(2,3)4)16(25)23-22-15(24)6-5-9-27-14-8-7-12(19)10-13(14)20/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyNCVIFYVBKRCHRH-UHFFFAOYSA-N
XLogP3.21
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N'-[2-(2,6-dimethylphenoxy)propanoyl]butanehydrazide
CID 4958695
4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400
1-tert-butyl-3-[4-(2,4-dichlorophenoxy)butanoylamino]thiourea
CID 9425938
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-methylbutanamide
CID 4923094
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 55560475) is tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is NCVIFYVBKRCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O5/c1-11(21-17(26)28-18(2,3)4)16(25)23-22-15(24)6-5-9-27-14-8-7-12(19)10-13(14)20/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 434.32 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55560475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).