N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide

C12H14N2O5 — CID 146022348

IUPACN-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N2O5/c1-12(6-19-7-12)11(15)13-9-4-3-8(18-2)5-10(9)14(16)17/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyNSEVPPQUTVLBJV-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.58
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide

N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide (PubChem CID 146022348) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide
PubChem CID146022348
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N2O5/c1-12(6-19-7-12)11(15)13-9-4-3-8(18-2)5-10(9)14(16)17/h3-5H,6-7H2,1-2H3,(H,13,15)
InChIKeyNSEVPPQUTVLBJV-UHFFFAOYSA-N
XLogP1.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.58
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

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CID 63139072
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(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
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CID 115569447
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
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CID 3101369
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide (CID 146022348) is N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide is COc1ccc(NC(=O)C2(C)COC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide?
The InChIKey is NSEVPPQUTVLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-12(6-19-7-12)11(15)13-9-4-3-8(18-2)5-10(9)14(16)17/h3-5H,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide?
N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 146022348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).