N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide

C13H17N3O4 — CID 66428523

IUPACN-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
SMILESCc1cc(NC(=O)CC2CNCCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c1-9-6-10(2-3-12(9)16(18)19)15-13(17)7-11-8-14-4-5-20-11/h2-3,6,11,14H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyYJIBNQGSLCTBPR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.22
Rot. Bonds4

About N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide

N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide (PubChem CID 66428523) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
PubChem CID66428523
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
SMILESCc1cc(NC(=O)CC2CNCCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c1-9-6-10(2-3-12(9)16(18)19)15-13(17)7-11-8-14-4-5-20-11/h2-3,6,11,14H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyYJIBNQGSLCTBPR-UHFFFAOYSA-N
XLogP1.22
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
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-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(2-methyl-4-pyridinyl)-2-morpholin-2-ylacetamide
CID 79241107
N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66433794
N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
CID 81311080
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
N-(5-methyl-3-pyridinyl)-2-morpholin-2-ylacetamide;dihydrochloride
CID 119884723
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide (CID 66428523) is N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide is Cc1cc(NC(=O)CC2CNCCO2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide?
The InChIKey is YJIBNQGSLCTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-6-10(2-3-12(9)16(18)19)15-13(17)7-11-8-14-4-5-20-11/h2-3,6,11,14H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide?
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide has a molecular weight of 279.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66428523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).