N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide

C18H15N3O7 — CID 1103077

IUPACN-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(N3C(=O)COCC3=O)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H15N3O7/c1-11(22)19-12-2-4-15(5-3-12)28-16-7-13(6-14(8-16)21(25)26)20-17(23)9-27-10-18(20)24/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyLIZMTTMIERLDRN-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.24
Rot. Bonds5

About N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide

N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide (PubChem CID 1103077) has the molecular formula C18H15N3O7 and a molecular weight of 385.33 g/mol. Its IUPAC name is N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide
PubChem CID1103077
Molecular FormulaC18H15N3O7
Molecular Weight385.33 g/mol
Exact Mass385.09
IUPAC NameN-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(N3C(=O)COCC3=O)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H15N3O7/c1-11(22)19-12-2-4-15(5-3-12)28-16-7-13(6-14(8-16)21(25)26)20-17(23)9-27-10-18(20)24/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyLIZMTTMIERLDRN-UHFFFAOYSA-N
XLogP2.24
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
CID 101025595
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
N-[4-[4-(2,5-dioxopyrrolidin-1-yl)-2-nitroanilino]phenyl]acetamide
CID 46374503
N-[4-[1-(3,5-dinitrobenzoyl)piperidin-4-yl]oxyphenyl]acetamide;methane
CID 159792863
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
5-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473414
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
1,3-bis(4-iodophenoxy)-5-nitrobenzene
CID 3092167
2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 71834309
(3aR,4S,7S,7aR)-2-[3-(3-methylphenoxy)-5-nitrophenyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98249305

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide (CID 1103077) is N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2cc(N3C(=O)COCC3=O)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide?
The InChIKey is LIZMTTMIERLDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O7/c1-11(22)19-12-2-4-15(5-3-12)28-16-7-13(6-14(8-16)21(25)26)20-17(23)9-27-10-18(20)24/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide?
N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide has a molecular weight of 385.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,5-dioxomorpholin-4-yl)-5-nitrophenoxy]phenyl]acetamide is sourced from PubChem (CID 1103077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).