2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide

C19H22N2O6 — CID 110493113

IUPAC2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2ccc(OC)cc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O6/c1-4-9-27-15-7-8-16(17(11-15)21(23)24)20-19(22)10-13-5-6-14(25-2)12-18(13)26-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyHXSKYBCQVBIPAN-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.58
Rot. Bonds9

About 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide

2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide (PubChem CID 110493113) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
PubChem CID110493113
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2ccc(OC)cc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O6/c1-4-9-27-15-7-8-16(17(11-15)21(23)24)20-19(22)10-13-5-6-14(25-2)12-18(13)26-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyHXSKYBCQVBIPAN-UHFFFAOYSA-N
XLogP3.58
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.58
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-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
CID 110492997
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-(4-methoxy-2-nitrophenyl)-2-(4-propoxypyrimidin-2-yl)sulfanylacetamide
CID 19581182

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide (CID 110493113) is 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)Cc2ccc(OC)cc2OC)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide?
The InChIKey is HXSKYBCQVBIPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-9-27-15-7-8-16(17(11-15)21(23)24)20-19(22)10-13-5-6-14(25-2)12-18(13)26-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide has a molecular weight of 374.39 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide is sourced from PubChem (CID 110493113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).