N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide

C21H18N2O5 — CID 7925013

IUPACN-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C21H18N2O5/c1-15-3-2-4-20(13-15)28-19-9-5-16(6-10-19)22-21(24)14-27-18-11-7-17(8-12-18)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeySBAGRECNTBEVBK-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.71
Rot. Bonds7

About N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide

N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 7925013) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID7925013
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C21H18N2O5/c1-15-3-2-4-20(13-15)28-19-9-5-16(6-10-19)22-21(24)14-27-18-11-7-17(8-12-18)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeySBAGRECNTBEVBK-UHFFFAOYSA-N
XLogP4.71
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
CID 1317603
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
2-[4-[[3-(4-nitrophenoxy)benzoyl]amino]phenoxy]acetic acid
CID 17172355

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide (CID 7925013) is N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide is Cc1cccc(Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is SBAGRECNTBEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-15-3-2-4-20(13-15)28-19-9-5-16(6-10-19)22-21(24)14-27-18-11-7-17(8-12-18)23(25)26/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 378.38 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 7925013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).