2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide

C19H21N3O5 — CID 17127189

IUPAC2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21N3O5/c1-14-2-5-16(6-3-14)27-13-19(23)20-15-4-7-17(18(12-15)22(24)25)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyQTFZSUZLXPFGAC-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide

2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide (PubChem CID 17127189) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
PubChem CID17127189
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21N3O5/c1-14-2-5-16(6-3-14)27-13-19(23)20-15-4-7-17(18(12-15)22(24)25)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyQTFZSUZLXPFGAC-UHFFFAOYSA-N
XLogP2.76
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127202
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689238
2-(3-methylphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689196
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 7378426
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400419
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide (CID 17127189) is 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The InChIKey is QTFZSUZLXPFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-14-2-5-16(6-3-14)27-13-19(23)20-15-4-7-17(18(12-15)22(24)25)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide is sourced from PubChem (CID 17127189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).