2-(2-azidoethylamino)-2-phenylbutanamide

C12H17N5O — CID 66191038

IUPAC2-(2-azidoethylamino)-2-phenylbutanamide
SMILESCCC(NCCN=[N+]=[N-])(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17N5O/c1-2-12(11(13)18,15-8-9-16-17-14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,13,18)
InChIKeyJLMFUYIRDWSQPQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.68
Rot. Bonds7

About 2-(2-azidoethylamino)-2-phenylbutanamide

2-(2-azidoethylamino)-2-phenylbutanamide (PubChem CID 66191038) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-phenylbutanamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-phenylbutanamide
PubChem CID66191038
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(2-azidoethylamino)-2-phenylbutanamide
SMILESCCC(NCCN=[N+]=[N-])(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17N5O/c1-2-12(11(13)18,15-8-9-16-17-14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,13,18)
InChIKeyJLMFUYIRDWSQPQ-UHFFFAOYSA-N
XLogP1.68
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
CID 114872028
2-(2-azidoethylamino)-2-(4-fluorophenyl)butanoic acid
CID 66190014
methyl 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)butanoate
CID 66190623
2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
CID 66191641
2-(4-chloroanilino)-2-phenylbutanamide
CID 60991020
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
CID 116694445
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
N-(4-azidobutyl)-2-methyl-2-phenylpropanamide
CID 114182177
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
2-(2-azidoethylamino)-2-(2-bromophenyl)propanoic acid
CID 66189213

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-phenylbutanamide?
The IUPAC name of 2-(2-azidoethylamino)-2-phenylbutanamide (CID 66191038) is 2-(2-azidoethylamino)-2-phenylbutanamide.
What is the SMILES notation for 2-(2-azidoethylamino)-2-phenylbutanamide?
The canonical SMILES for 2-(2-azidoethylamino)-2-phenylbutanamide is CCC(NCCN=[N+]=[N-])(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(2-azidoethylamino)-2-phenylbutanamide?
The InChIKey is JLMFUYIRDWSQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-12(11(13)18,15-8-9-16-17-14)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3,(H2,13,18).
What are the key properties of 2-(2-azidoethylamino)-2-phenylbutanamide?
2-(2-azidoethylamino)-2-phenylbutanamide has a molecular weight of 247.30 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-phenylbutanamide is sourced from PubChem (CID 66191038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).