N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide

C16H16N2O4 — CID 4814884

IUPACN-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-12(16(19)17(2)13-6-4-3-5-7-13)22-15-10-8-14(9-11-15)18(20)21/h3-12H,1-2H3
InChIKeyZJIAMORMXGXSHK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide

N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide (PubChem CID 4814884) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
PubChem CID4814884
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-12(16(19)17(2)13-6-4-3-5-7-13)22-15-10-8-14(9-11-15)18(20)21/h3-12H,1-2H3
InChIKeyZJIAMORMXGXSHK-UHFFFAOYSA-N
XLogP3.03
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate
CID 7990173
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(dimethylamino)-5-nitrobenzoate
CID 7684734
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
[4-(4-nitrophenoxy)phenyl] 2-(4-phenoxyphenoxy)propanoate
CID 14498576
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
2-[2-(4-nitrophenoxy)propanoyloxy]benzoic acid
CID 54855182
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide?
The IUPAC name of N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide (CID 4814884) is N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide.
What is the SMILES notation for N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide?
The canonical SMILES for N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide?
The InChIKey is ZJIAMORMXGXSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-12(16(19)17(2)13-6-4-3-5-7-13)22-15-10-8-14(9-11-15)18(20)21/h3-12H,1-2H3.
What are the key properties of N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide?
N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide has a molecular weight of 300.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide is sourced from PubChem (CID 4814884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).