2-azido-N-benzylpropanamide

C10H12N4O — CID 73205195

IUPAC2-azido-N-benzylpropanamide
SMILESCC(N=[N+]=[N-])C(=O)NCc1ccccc1
InChIInChI=1S/C10H12N4O/c1-8(13-14-11)10(15)12-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)
InChIKeyMTIXSQNUMIZFQL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.00
Rot. Bonds4

About 2-azido-N-benzylpropanamide

2-azido-N-benzylpropanamide (PubChem CID 73205195) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-azido-N-benzylpropanamide.

Molecular Properties

Compound Name2-azido-N-benzylpropanamide
PubChem CID73205195
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-azido-N-benzylpropanamide
SMILESCC(N=[N+]=[N-])C(=O)NCc1ccccc1
InChIInChI=1S/C10H12N4O/c1-8(13-14-11)10(15)12-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)
InChIKeyMTIXSQNUMIZFQL-UHFFFAOYSA-N
XLogP2.00
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.00
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-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
N-benzyl-2-hydroxypentanamide
CID 141058656
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-benzylpropanamide?
The IUPAC name of 2-azido-N-benzylpropanamide (CID 73205195) is 2-azido-N-benzylpropanamide.
What is the SMILES notation for 2-azido-N-benzylpropanamide?
The canonical SMILES for 2-azido-N-benzylpropanamide is CC(N=[N+]=[N-])C(=O)NCc1ccccc1.
What is the InChIKey of 2-azido-N-benzylpropanamide?
The InChIKey is MTIXSQNUMIZFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(13-14-11)10(15)12-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15).
What are the key properties of 2-azido-N-benzylpropanamide?
2-azido-N-benzylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-benzylpropanamide is sourced from PubChem (CID 73205195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).