N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide

C13H16N2O4 — CID 100788996

IUPACN-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H16N2O4/c1-19-9-8-14-12(16)13(6-7-13)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3,(H,14,16)
InChIKeyVOCZKXZSMJKARB-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.39
Rot. Bonds6

About N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide

N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 100788996) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID100788996
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C13H16N2O4/c1-19-9-8-14-12(16)13(6-7-13)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3,(H,14,16)
InChIKeyVOCZKXZSMJKARB-UHFFFAOYSA-N
XLogP1.39
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 121376715
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822392
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
1,3-bis(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]guanidine
CID 111491810
2-amino-N-(2-methoxyethyl)-3-(4-nitrophenyl)propanamide;hydrochloride
CID 22491987
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
1-(4-bromophenyl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 51871982
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822330
N-(2-methoxyethyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378235

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide (CID 100788996) is N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide is COCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is VOCZKXZSMJKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-9-8-14-12(16)13(6-7-13)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100788996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).