N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide

C21H19N3O5 — CID 52702824

IUPACN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C21H19N3O5/c1-14-5-3-7-19(15(14)2)29-21-18(6-4-12-22-21)23-20(25)13-28-17-10-8-16(9-11-17)24(26)27/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyLKTIVPQQWHIVIB-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.42
Rot. Bonds7

About N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 52702824) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
PubChem CID52702824
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C21H19N3O5/c1-14-5-3-7-19(15(14)2)29-21-18(6-4-12-22-21)23-20(25)13-28-17-10-8-16(9-11-17)24(26)27/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyLKTIVPQQWHIVIB-UHFFFAOYSA-N
XLogP4.42
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
CID 24819119
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 55661128
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
N-(2-chloro-3-pyridinyl)-2-(2,3-dimethylphenoxy)acetamide
CID 17099005
N-(2-methoxy-3-pyridinyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55795022
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide (CID 52702824) is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide is Cc1cccc(Oc2ncccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is LKTIVPQQWHIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-14-5-3-7-19(15(14)2)29-21-18(6-4-12-22-21)23-20(25)13-28-17-10-8-16(9-11-17)24(26)27/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide?
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 393.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 52702824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).