2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide

C13H17N3O4 — CID 66426771

IUPAC2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
SMILESO=C(CC1CNCCO1)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O4/c17-13(7-12-9-14-5-6-20-12)15-8-10-1-3-11(4-2-10)16(18)19/h1-4,12,14H,5-9H2,(H,15,17)
InChIKeyZKKHFNFRGHRPLS-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.59
Rot. Bonds5

About 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide

2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide (PubChem CID 66426771) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
PubChem CID66426771
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
SMILESO=C(CC1CNCCO1)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O4/c17-13(7-12-9-14-5-6-20-12)15-8-10-1-3-11(4-2-10)16(18)19/h1-4,12,14H,5-9H2,(H,15,17)
InChIKeyZKKHFNFRGHRPLS-UHFFFAOYSA-N
XLogP0.59
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.59
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-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701228
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
2-[(2S)-morpholin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 125118421
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
[(2R)-morpholin-2-yl]methyl 4-nitrobenzoate
CID 66663133
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide (CID 66426771) is 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide is O=C(CC1CNCCO1)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide?
The InChIKey is ZKKHFNFRGHRPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-13(7-12-9-14-5-6-20-12)15-8-10-1-3-11(4-2-10)16(18)19/h1-4,12,14H,5-9H2,(H,15,17).
What are the key properties of 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide?
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 66426771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).