2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide

C12H17N5O3 — CID 66167007

IUPAC2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(NCCCN=[N+]=[N-])C(N)=O)cc1O
InChIInChI=1S/C12H17N5O3/c1-20-10-4-3-8(7-9(10)18)11(12(13)19)15-5-2-6-16-17-14/h3-4,7,11,15,18H,2,5-6H2,1H3,(H2,13,19)
InChIKeyGYTDDRSIAQVSIY-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.22
Rot. Bonds8

About 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide

2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide (PubChem CID 66167007) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
PubChem CID66167007
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(NCCCN=[N+]=[N-])C(N)=O)cc1O
InChIInChI=1S/C12H17N5O3/c1-20-10-4-3-8(7-9(10)18)11(12(13)19)15-5-2-6-16-17-14/h3-4,7,11,15,18H,2,5-6H2,1H3,(H2,13,19)
InChIKeyGYTDDRSIAQVSIY-UHFFFAOYSA-N
XLogP1.22
TPSA133.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(methoxymethyl)phenyl]acetamide
CID 66166388
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 54892827
methyl 2-(3-azidopropylamino)-2-(4-bromo-3-methylphenyl)acetate
CID 66478796
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
methyl 2-(3-azidopropylamino)-2-(4-chloro-3-fluorophenyl)acetate
CID 66190499
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
CID 66165772
2-(2-azidoethylamino)-2-(3-bromo-4-methoxyphenyl)acetic acid
CID 66188630
2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
CID 66188947
methyl 2-(3-azidopropylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 66190506
2-(2-azidoethylamino)-2-(3,4-dichlorophenyl)acetamide
CID 66189867

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide (CID 66167007) is 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide is COc1ccc(C(NCCCN=[N+]=[N-])C(N)=O)cc1O.
What is the InChIKey of 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide?
The InChIKey is GYTDDRSIAQVSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-20-10-4-3-8(7-9(10)18)11(12(13)19)15-5-2-6-16-17-14/h3-4,7,11,15,18H,2,5-6H2,1H3,(H2,13,19).
What are the key properties of 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide?
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide is sourced from PubChem (CID 66167007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).