2-(4-nitrophenoxy)-N-(propylideneamino)acetamide

C11H13N3O4 — CID 4617733

IUPAC2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
SMILESCCC=NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c1-2-7-12-13-11(15)8-18-10-5-3-9(4-6-10)14(16)17/h3-7H,2,8H2,1H3,(H,13,15)
InChIKeyIZYKJNQTPOEHEP-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.49
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide

2-(4-nitrophenoxy)-N-(propylideneamino)acetamide (PubChem CID 4617733) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
PubChem CID4617733
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
SMILESCCC=NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c1-2-7-12-13-11(15)8-18-10-5-3-9(4-6-10)14(16)17/h3-7H,2,8H2,1H3,(H,13,15)
InChIKeyIZYKJNQTPOEHEP-UHFFFAOYSA-N
XLogP1.49
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
CID 4633762
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360
2-(4-nitrophenoxy)-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 3369130
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6384661
N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5431266

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide (CID 4617733) is 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide is CCC=NNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide?
The InChIKey is IZYKJNQTPOEHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-7-12-13-11(15)8-18-10-5-3-9(4-6-10)14(16)17/h3-7H,2,8H2,1H3,(H,13,15).
What are the key properties of 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide?
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide has a molecular weight of 251.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(propylideneamino)acetamide is sourced from PubChem (CID 4617733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).