N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide

C19H20N2O5 — CID 102230369

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(Oc3ccccc3[N+](=O)[O-])CCC2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-15-9-7-14(8-10-15)13-20-18(22)19(11-4-12-19)26-17-6-3-2-5-16(17)21(23)24/h2-3,5-10H,4,11-13H2,1H3,(H,20,22)
InChIKeyLNOVPKYPOINEAZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.22
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide (PubChem CID 102230369) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide
PubChem CID102230369
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(Oc3ccccc3[N+](=O)[O-])CCC2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-15-9-7-14(8-10-15)13-20-18(22)19(11-4-12-19)26-17-6-3-2-5-16(17)21(23)24/h2-3,5-10H,4,11-13H2,1H3,(H,20,22)
InChIKeyLNOVPKYPOINEAZ-UHFFFAOYSA-N
XLogP3.22
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.22
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

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18075857
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
methane;1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 142331235
N-[(4-methoxyphenyl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 712048
1-N-[(4-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976318
N-[[4-(2-nitrophenoxy)phenyl]methyl]propan-1-amine
CID 61030640

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide (CID 102230369) is N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide is COc1ccc(CNC(=O)C2(Oc3ccccc3[N+](=O)[O-])CCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide?
The InChIKey is LNOVPKYPOINEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-15-9-7-14(8-10-15)13-20-18(22)19(11-4-12-19)26-17-6-3-2-5-16(17)21(23)24/h2-3,5-10H,4,11-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenoxy)cyclobutane-1-carboxamide is sourced from PubChem (CID 102230369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).