4-azido-3-methyl-N-propylbenzamide

C11H14N4O — CID 150918172

IUPAC4-azido-3-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N=[N+]=[N-])c(C)c1
InChIInChI=1S/C11H14N4O/c1-3-6-13-11(16)9-4-5-10(14-15-12)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,13,16)
InChIKeyLDLIPEKWSNMGCT-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.08
Rot. Bonds4

About 4-azido-3-methyl-N-propylbenzamide

4-azido-3-methyl-N-propylbenzamide (PubChem CID 150918172) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-azido-3-methyl-N-propylbenzamide.

Molecular Properties

Compound Name4-azido-3-methyl-N-propylbenzamide
PubChem CID150918172
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-azido-3-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N=[N+]=[N-])c(C)c1
InChIInChI=1S/C11H14N4O/c1-3-6-13-11(16)9-4-5-10(14-15-12)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,13,16)
InChIKeyLDLIPEKWSNMGCT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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

4-[(1-amino-2-chloroethylidene)amino]-3-methyl-N-propylbenzamide
CID 169366016
ethyl 4-azido-3-methylbenzoate
CID 122215980
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-propylnaphthalene-2-carboxamide
CID 6624536
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
methane;methyl 3-azido-4-methylbenzoate
CID 167548243
3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide
CID 168593224
3,5-diamino-N-propylbenzamide
CID 20701636

Frequently Asked Questions

What is the IUPAC name of 4-azido-3-methyl-N-propylbenzamide?
The IUPAC name of 4-azido-3-methyl-N-propylbenzamide (CID 150918172) is 4-azido-3-methyl-N-propylbenzamide.
What is the SMILES notation for 4-azido-3-methyl-N-propylbenzamide?
The canonical SMILES for 4-azido-3-methyl-N-propylbenzamide is CCCNC(=O)c1ccc(N=[N+]=[N-])c(C)c1.
What is the InChIKey of 4-azido-3-methyl-N-propylbenzamide?
The InChIKey is LDLIPEKWSNMGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-6-13-11(16)9-4-5-10(14-15-12)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 4-azido-3-methyl-N-propylbenzamide?
4-azido-3-methyl-N-propylbenzamide has a molecular weight of 218.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3-methyl-N-propylbenzamide is sourced from PubChem (CID 150918172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).