N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide

C17H15N3O5 — CID 117071561

IUPACN-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)N/N=C1\CCOc2ccccc21
InChIInChI=1S/C17H15N3O5/c21-17(11-25-13-5-3-4-12(10-13)20(22)23)19-18-15-8-9-24-16-7-2-1-6-14(15)16/h1-7,10H,8-9,11H2,(H,19,21)/b18-15+
InChIKeyJOHZNBOBADJYNZ-OBGWFSINSA-N
MW341.32 g/mol
LogP2.28
Rot. Bonds5

About N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide

N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide (PubChem CID 117071561) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
PubChem CID117071561
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)N/N=C1\CCOc2ccccc21
InChIInChI=1S/C17H15N3O5/c21-17(11-25-13-5-3-4-12(10-13)20(22)23)19-18-15-8-9-24-16-7-2-1-6-14(15)16/h1-7,10H,8-9,11H2,(H,19,21)/b18-15+
InChIKeyJOHZNBOBADJYNZ-OBGWFSINSA-N
XLogP2.28
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
CID 90481723
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 31675916
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 570404
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
CID 10736902
1-[[2-(3-nitrophenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452394
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 8586814

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide (CID 117071561) is N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)N/N=C1\CCOc2ccccc21.
What is the InChIKey of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide?
The InChIKey is JOHZNBOBADJYNZ-OBGWFSINSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-17(11-25-13-5-3-4-12(10-13)20(22)23)19-18-15-8-9-24-16-7-2-1-6-14(15)16/h1-7,10H,8-9,11H2,(H,19,21)/b18-15+.
What are the key properties of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide?
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide has a molecular weight of 341.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 117071561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).