N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide

C14H19N3O6 — CID 17357947

IUPACN'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide
SMILESCCOCCC(=O)NNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O6/c1-3-22-9-8-13(18)15-16-14(19)10(2)23-12-6-4-11(5-7-12)17(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyMMNQAFUEASMLMC-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.94
Rot. Bonds8

About N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide

N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide (PubChem CID 17357947) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide
PubChem CID17357947
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC NameN'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide
SMILESCCOCCC(=O)NNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O6/c1-3-22-9-8-13(18)15-16-14(19)10(2)23-12-6-4-11(5-7-12)17(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyMMNQAFUEASMLMC-UHFFFAOYSA-N
XLogP0.94
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9240937
N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951401
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
propyl 4-[2-[2-[2-(4-nitrophenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4951438
1-[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea
CID 8679781
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951428
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N'-(2-ethoxyacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17140896
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
2-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 8960583

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide?
The IUPAC name of N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide (CID 17357947) is N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide.
What is the SMILES notation for N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide?
The canonical SMILES for N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide is CCOCCC(=O)NNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide?
The InChIKey is MMNQAFUEASMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-3-22-9-8-13(18)15-16-14(19)10(2)23-12-6-4-11(5-7-12)17(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide?
N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide has a molecular weight of 325.32 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 17357947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).