2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide

C15H23N5O — CID 66165567

IUPAC2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(C(NCCCN=[N+]=[N-])C(N)=O)cc1
InChIInChI=1S/C15H23N5O/c1-15(2,3)12-7-5-11(6-8-12)13(14(16)21)18-9-4-10-19-20-17/h5-8,13,18H,4,9-10H2,1-3H3,(H2,16,21)
InChIKeyNUDBOLUGIIOYIW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.80
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide

2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide (PubChem CID 66165567) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
PubChem CID66165567
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(C(NCCCN=[N+]=[N-])C(N)=O)cc1
InChIInChI=1S/C15H23N5O/c1-15(2,3)12-7-5-11(6-8-12)13(14(16)21)18-9-4-10-19-20-17/h5-8,13,18H,4,9-10H2,1-3H3,(H2,16,21)
InChIKeyNUDBOLUGIIOYIW-UHFFFAOYSA-N
XLogP2.80
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.80
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'}

Analyze 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide 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

methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
CID 66164945
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
2-(3-azidopropylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189497
2-(3-azidopropylamino)-2-(4-bromophenyl)acetic acid
CID 66190101
2-(3-azidopropylamino)-2-(4-iodophenyl)acetic acid
CID 114283036
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
CID 66165772
2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
CID 66188947
2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide
CID 66189867
methyl 2-(3-azidopropylamino)-2-(4-bromo-3-methylphenyl)acetate
CID 66478796

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide (CID 66165567) is 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(C(NCCCN=[N+]=[N-])C(N)=O)cc1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide?
The InChIKey is NUDBOLUGIIOYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)12-7-5-11(6-8-12)13(14(16)21)18-9-4-10-19-20-17/h5-8,13,18H,4,9-10H2,1-3H3,(H2,16,21).
What are the key properties of 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide?
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 66165567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).