N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide

C12H14N4O — CID 55128695

IUPACN-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C12H14N4O/c13-16-15-9-8-14-11(17)12(6-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17)
InChIKeyVPGGLCKOCDACPU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.14
Rot. Bonds5

About N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide

N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 55128695) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID55128695
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C12H14N4O/c13-16-15-9-8-14-11(17)12(6-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17)
InChIKeyVPGGLCKOCDACPU-UHFFFAOYSA-N
XLogP2.14
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 113313525
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide (CID 55128695) is N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide is [N-]=[N+]=NCCNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is VPGGLCKOCDACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-16-15-9-8-14-11(17)12(6-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17).
What are the key properties of N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide?
N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 55128695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).