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

C13H19N5O3 — CID 66165562

IUPAC2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cc(C(C)(NCCCN=[N+]=[N-])C(N)=O)ccc1O
InChIInChI=1S/C13H19N5O3/c1-13(12(14)20,16-6-3-7-17-18-15)9-4-5-10(19)11(8-9)21-2/h4-5,8,16,19H,3,6-7H2,1-2H3,(H2,14,20)
InChIKeyQZMUJOZOKYKMQG-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.39
Rot. Bonds8

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

2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide (PubChem CID 66165562) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
PubChem CID66165562
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cc(C(C)(NCCCN=[N+]=[N-])C(N)=O)ccc1O
InChIInChI=1S/C13H19N5O3/c1-13(12(14)20,16-6-3-7-17-18-15)9-4-5-10(19)11(8-9)21-2/h4-5,8,16,19H,3,6-7H2,1-2H3,(H2,14,20)
InChIKeyQZMUJOZOKYKMQG-UHFFFAOYSA-N
XLogP1.39
TPSA133.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.39
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

methyl 2-(2-azidoethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanoate
CID 66190024
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
CID 114083108
2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
CID 66191641
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930
ethyl 2-(2-azidoethylamino)-2-(3,4-dimethylphenyl)propanoate
CID 66189056
2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
CID 83119646
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
2-(3-azidopropylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 66190491
2-(3-azidopropylamino)-2-(2,5-dimethylphenyl)propanoic acid
CID 66190091
N-(3-azidopropyl)-3,4-dimethoxybenzamide
CID 61344006

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide (CID 66165562) is 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide is COc1cc(C(C)(NCCCN=[N+]=[N-])C(N)=O)ccc1O.
What is the InChIKey of 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide?
The InChIKey is QZMUJOZOKYKMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-13(12(14)20,16-6-3-7-17-18-15)9-4-5-10(19)11(8-9)21-2/h4-5,8,16,19H,3,6-7H2,1-2H3,(H2,14,20).
What are the key properties of 2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide?
2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide has a molecular weight of 293.33 g/mol, XLogP of 1.39, 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-(4-hydroxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 66165562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).