N-(4-azido-2-methylphenyl)butanamide

C11H14N4O — CID 169325549

IUPACN-(4-azido-2-methylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N=[N+]=[N-])cc1C
InChIInChI=1S/C11H14N4O/c1-3-4-11(16)13-10-6-5-9(14-15-12)7-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyFBGPGLTWJASQNI-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.68
Rot. Bonds4

About N-(4-azido-2-methylphenyl)butanamide

N-(4-azido-2-methylphenyl)butanamide (PubChem CID 169325549) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4-azido-2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-azido-2-methylphenyl)butanamide
PubChem CID169325549
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(4-azido-2-methylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N=[N+]=[N-])cc1C
InChIInChI=1S/C11H14N4O/c1-3-4-11(16)13-10-6-5-9(14-15-12)7-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyFBGPGLTWJASQNI-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

N-[4-[(1-amino-2-chloroethylidene)amino]-2-methylphenyl]butanamide
CID 169367399
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219
N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266

Frequently Asked Questions

What is the IUPAC name of N-(4-azido-2-methylphenyl)butanamide?
The IUPAC name of N-(4-azido-2-methylphenyl)butanamide (CID 169325549) is N-(4-azido-2-methylphenyl)butanamide.
What is the SMILES notation for N-(4-azido-2-methylphenyl)butanamide?
The canonical SMILES for N-(4-azido-2-methylphenyl)butanamide is CCCC(=O)Nc1ccc(N=[N+]=[N-])cc1C.
What is the InChIKey of N-(4-azido-2-methylphenyl)butanamide?
The InChIKey is FBGPGLTWJASQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-4-11(16)13-10-6-5-9(14-15-12)7-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N-(4-azido-2-methylphenyl)butanamide?
N-(4-azido-2-methylphenyl)butanamide has a molecular weight of 218.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azido-2-methylphenyl)butanamide is sourced from PubChem (CID 169325549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).