N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide

C14H17N3O5 — CID 138624235

IUPACN-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O5/c1-10(18)16(11(2)19)12-3-4-13(14(9-12)17(20)21)15-5-7-22-8-6-15/h3-4,9H,5-8H2,1-2H3
InChIKeyIJBRUQKKNZCCHW-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.33
Rot. Bonds3

About N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide

N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide (PubChem CID 138624235) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
PubChem CID138624235
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC NameN-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O5/c1-10(18)16(11(2)19)12-3-4-13(14(9-12)17(20)21)15-5-7-22-8-6-15/h3-4,9H,5-8H2,1-2H3
InChIKeyIJBRUQKKNZCCHW-UHFFFAOYSA-N
XLogP1.33
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
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

N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2969969
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
methyl 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoate
CID 100918244
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
(4-tert-butylphenyl) 4-morpholin-4-yl-3-nitrobenzoate
CID 18267392

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The IUPAC name of N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide (CID 138624235) is N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide.
What is the SMILES notation for N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The canonical SMILES for N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide is CC(=O)N(C(C)=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The InChIKey is IJBRUQKKNZCCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-10(18)16(11(2)19)12-3-4-13(14(9-12)17(20)21)15-5-7-22-8-6-15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide has a molecular weight of 307.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide is sourced from PubChem (CID 138624235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).