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

C18H17N3O5 — CID 10736902

IUPACN-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C1\CCOc2ccccc21
InChIInChI=1S/C18H17N3O5/c1-12(26-17-9-5-3-7-15(17)21(23)24)18(22)20-19-14-10-11-25-16-8-4-2-6-13(14)16/h2-9,12H,10-11H2,1H3,(H,20,22)/b19-14+
InChIKeyZWHUIZJBNYXYOH-XMHGGMMESA-N
MW355.35 g/mol
LogP2.67
Rot. Bonds5

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

N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide (PubChem CID 10736902) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
PubChem CID10736902
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C1\CCOc2ccccc21
InChIInChI=1S/C18H17N3O5/c1-12(26-17-9-5-3-7-15(17)21(23)24)18(22)20-19-14-10-11-25-16-8-4-2-6-13(14)16/h2-9,12H,10-11H2,1H3,(H,20,22)/b19-14+
InChIKeyZWHUIZJBNYXYOH-XMHGGMMESA-N
XLogP2.67
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.67
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

(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
CID 93092105
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
(2S)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 28839107
(2R)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 28839102
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
CID 117071561
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide (CID 10736902) is N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C1\CCOc2ccccc21.
What is the InChIKey of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide?
The InChIKey is ZWHUIZJBNYXYOH-XMHGGMMESA-N. The full InChI is InChI=1S/C18H17N3O5/c1-12(26-17-9-5-3-7-15(17)21(23)24)18(22)20-19-14-10-11-25-16-8-4-2-6-13(14)16/h2-9,12H,10-11H2,1H3,(H,20,22)/b19-14+.
What are the key properties of N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide?
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide has a molecular weight of 355.35 g/mol, XLogP of 2.67, 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-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 10736902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).