2-azido-N-propylpropanamide

C6H12N4O — CID 61373269

IUPAC2-azido-N-propylpropanamide
SMILESCCCNC(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C6H12N4O/c1-3-4-8-6(11)5(2)9-10-7/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyHRALCZDUSRXUFP-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.21
Rot. Bonds4

About 2-azido-N-propylpropanamide

2-azido-N-propylpropanamide (PubChem CID 61373269) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-azido-N-propylpropanamide.

Molecular Properties

Compound Name2-azido-N-propylpropanamide
PubChem CID61373269
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-azido-N-propylpropanamide
SMILESCCCNC(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C6H12N4O/c1-3-4-8-6(11)5(2)9-10-7/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyHRALCZDUSRXUFP-UHFFFAOYSA-N
XLogP1.21
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.21
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

2-azido-N-[2-(chloromethoxy)ethyl]propanamide
CID 164821718
2-azido-N-methylpropanamide
CID 20591221
2-azido-N-benzylpropanamide
CID 73205195
2-azidopropanoic acid
CID 14720889
2-(1-aminobutylideneamino)-N-propylpropanamide
CID 63177784
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
2-iodo-N-propylpropanamide
CID 64787589
2-azido-4-methylpentan-3-one
CID 150180887
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2-amino-N-propylpropanamide;ethane
CID 142837247
3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide
CID 15725826

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-propylpropanamide?
The IUPAC name of 2-azido-N-propylpropanamide (CID 61373269) is 2-azido-N-propylpropanamide.
What is the SMILES notation for 2-azido-N-propylpropanamide?
The canonical SMILES for 2-azido-N-propylpropanamide is CCCNC(=O)C(C)N=[N+]=[N-].
What is the InChIKey of 2-azido-N-propylpropanamide?
The InChIKey is HRALCZDUSRXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-4-8-6(11)5(2)9-10-7/h5H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 2-azido-N-propylpropanamide?
2-azido-N-propylpropanamide has a molecular weight of 156.19 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-propylpropanamide is sourced from PubChem (CID 61373269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).