N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H14N4O — CID 166390708

IUPACN-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C12H14N4O/c1-12(2)7-10(12)11(17)14-8-3-5-9(6-4-8)15-16-13/h3-6,10H,7H2,1-2H3,(H,14,17)
InChIKeyBACUOHWIDQTBJR-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.61
Rot. Bonds3

About N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 166390708) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID166390708
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C12H14N4O/c1-12(2)7-10(12)11(17)14-8-3-5-9(6-4-8)15-16-13/h3-6,10H,7H2,1-2H3,(H,14,17)
InChIKeyBACUOHWIDQTBJR-UHFFFAOYSA-N
XLogP3.61
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(4-azidophenyl)acetamide
CID 4315161
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
methyl N-(4-azidophenyl)carbamate
CID 142621312
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 12989212
3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 174200714
(1S)-2,2-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 122159832
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829

Frequently Asked Questions

What is the IUPAC name of N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 166390708) is N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is BACUOHWIDQTBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(2)7-10(12)11(17)14-8-3-5-9(6-4-8)15-16-13/h3-6,10H,7H2,1-2H3,(H,14,17).
What are the key properties of N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 166390708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).