2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide

C13H17N3O4 — CID 47135180

IUPAC2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C13H17N3O4/c1-10-8-15(6-7-20-10)9-13(17)14-11-2-4-12(5-3-11)16(18)19/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyXIDBAGCAVSVJQS-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide

2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 47135180) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
PubChem CID47135180
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1
InChIInChI=1S/C13H17N3O4/c1-10-8-15(6-7-20-10)9-13(17)14-11-2-4-12(5-3-11)16(18)19/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyXIDBAGCAVSVJQS-UHFFFAOYSA-N
XLogP1.25
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.25
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

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8930781
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-(4-methoxyphenyl)-4-[[2-(2-methylmorpholin-4-yl)acetyl]amino]benzamide
CID 46677637
2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 17486154
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30253772
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]acetamide
CID 9116895

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide (CID 47135180) is 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide is CC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is XIDBAGCAVSVJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-10-8-15(6-7-20-10)9-13(17)14-11-2-4-12(5-3-11)16(18)19/h2-5,10H,6-9H2,1H3,(H,14,17).
What are the key properties of 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide?
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 47135180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).