1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide

C12H15N3O3 — CID 65464485

IUPAC1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H15N3O3/c13-12(6-7-12)11(16)14-8-5-9-1-3-10(4-2-9)15(17)18/h1-4H,5-8,13H2,(H,14,16)
InChIKeyNRAQXTOTVXYZLI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.74
Rot. Bonds5

About 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 65464485) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID65464485
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H15N3O3/c13-12(6-7-12)11(16)14-8-5-9-1-3-10(4-2-9)15(17)18/h1-4H,5-8,13H2,(H,14,16)
InChIKeyNRAQXTOTVXYZLI-UHFFFAOYSA-N
XLogP0.74
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
CID 119778284
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
2-(4-nitrophenyl)ethylthiourea
CID 24973175
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(4-nitrophenyl)ethyl]propanamide
CID 79793079
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119305426
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
(4R)-3-(2-aminoacetyl)-2,2-dimethyl-N-[2-(4-nitrophenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 101424329

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide (CID 65464485) is 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is NRAQXTOTVXYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-12(6-7-12)11(16)14-8-5-9-1-3-10(4-2-9)15(17)18/h1-4H,5-8,13H2,(H,14,16).
What are the key properties of 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65464485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).