4-azido-N-(3-methylphenyl)butanamide

C11H14N4O — CID 61373304

IUPAC4-azido-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCN=[N+]=[N-])c1
InChIInChI=1S/C11H14N4O/c1-9-4-2-5-10(8-9)14-11(16)6-3-7-13-15-12/h2,4-5,8H,3,6-7H2,1H3,(H,14,16)
InChIKeyBFKULKPFHNAVQR-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.02
Rot. Bonds5

About 4-azido-N-(3-methylphenyl)butanamide

4-azido-N-(3-methylphenyl)butanamide (PubChem CID 61373304) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-azido-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-azido-N-(3-methylphenyl)butanamide
PubChem CID61373304
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-azido-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCN=[N+]=[N-])c1
InChIInChI=1S/C11H14N4O/c1-9-4-2-5-10(8-9)14-11(16)6-3-7-13-15-12/h2,4-5,8H,3,6-7H2,1H3,(H,14,16)
InChIKeyBFKULKPFHNAVQR-UHFFFAOYSA-N
XLogP3.02
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.02
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'}

Analyze 4-azido-N-(3-methylphenyl)butanamide 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

4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetic acid
CID 43352223
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
2-methyl-2-[4-(3-methylanilino)-4-oxobutyl]sulfanylpropanoic acid
CID 81228776
N-(3-methylphenyl)hex-4-ynamide
CID 71177408
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide
CID 66220999

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-azido-N-(3-methylphenyl)butanamide (CID 61373304) is 4-azido-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-azido-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-azido-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCN=[N+]=[N-])c1.
What is the InChIKey of 4-azido-N-(3-methylphenyl)butanamide?
The InChIKey is BFKULKPFHNAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-4-2-5-10(8-9)14-11(16)6-3-7-13-15-12/h2,4-5,8H,3,6-7H2,1H3,(H,14,16).
What are the key properties of 4-azido-N-(3-methylphenyl)butanamide?
4-azido-N-(3-methylphenyl)butanamide has a molecular weight of 218.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 61373304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).