N-(4-azidophenyl)-2-methylbutanamide

C11H14N4O — CID 58616737

IUPACN-(4-azidophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4O/c1-3-8(2)11(16)13-9-4-6-10(7-5-9)14-15-12/h4-8H,3H2,1-2H3,(H,13,16)
InChIKeyLWELMGMBIUVJFR-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.61
Rot. Bonds4

About N-(4-azidophenyl)-2-methylbutanamide

N-(4-azidophenyl)-2-methylbutanamide (PubChem CID 58616737) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4-azidophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-azidophenyl)-2-methylbutanamide
PubChem CID58616737
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(4-azidophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C11H14N4O/c1-3-8(2)11(16)13-9-4-6-10(7-5-9)14-15-12/h4-8H,3H2,1-2H3,(H,13,16)
InChIKeyLWELMGMBIUVJFR-UHFFFAOYSA-N
XLogP3.61
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
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'}

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2-(4-azidoanilino)propanoic acid
CID 90146242
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
N-[3-hydroxy-4-[[4-(methylideneamino)phenyl]carbamoylamino]phenyl]-2-methylbutanamide
CID 59891745
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-methyl-N-phenylpentanamide
CID 4627801

Frequently Asked Questions

What is the IUPAC name of N-(4-azidophenyl)-2-methylbutanamide?
The IUPAC name of N-(4-azidophenyl)-2-methylbutanamide (CID 58616737) is N-(4-azidophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-azidophenyl)-2-methylbutanamide?
The canonical SMILES for N-(4-azidophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of N-(4-azidophenyl)-2-methylbutanamide?
The InChIKey is LWELMGMBIUVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-8(2)11(16)13-9-4-6-10(7-5-9)14-15-12/h4-8H,3H2,1-2H3,(H,13,16).
What are the key properties of N-(4-azidophenyl)-2-methylbutanamide?
N-(4-azidophenyl)-2-methylbutanamide has a molecular weight of 218.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidophenyl)-2-methylbutanamide is sourced from PubChem (CID 58616737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).