2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide

C14H21N5O2 — CID 66167212

IUPAC2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(C(C)(NCCCN=[N+]=[N-])C(N)=O)cc1
InChIInChI=1S/C14H21N5O2/c1-3-21-12-7-5-11(6-8-12)14(2,13(15)20)17-9-4-10-18-19-16/h5-8,17H,3-4,9-10H2,1-2H3,(H2,15,20)
InChIKeyFLJWMKIETOYEDA-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.08
Rot. Bonds9

About 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide

2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide (PubChem CID 66167212) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide
PubChem CID66167212
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(C(C)(NCCCN=[N+]=[N-])C(N)=O)cc1
InChIInChI=1S/C14H21N5O2/c1-3-21-12-7-5-11(6-8-12)14(2,13(15)20)17-9-4-10-18-19-16/h5-8,17H,3-4,9-10H2,1-2H3,(H2,15,20)
InChIKeyFLJWMKIETOYEDA-UHFFFAOYSA-N
XLogP2.08
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-iodophenyl)propanamide
CID 114083108
2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 66165562
ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
2-(2-azidoethylamino)-2-naphthalen-2-ylpropanamide
CID 66191641
2-(cyclopentylamino)-2-(4-ethoxyphenyl)propanamide
CID 60999099
ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
CID 66189937
ethyl 2-(3-azidopropylamino)-2-(2-bromophenyl)propanoate
CID 66190529
ethyl 2-(2-azidoethylamino)-2-(3,4-dimethylphenyl)propanoate
CID 66189056
ethyl 2-(2-azidoethylamino)-2-(4-methylsulfanylphenyl)propanoate
CID 66191230
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide (CID 66167212) is 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide is CCOc1ccc(C(C)(NCCCN=[N+]=[N-])C(N)=O)cc1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide?
The InChIKey is FLJWMKIETOYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-21-12-7-5-11(6-8-12)14(2,13(15)20)17-9-4-10-18-19-16/h5-8,17H,3-4,9-10H2,1-2H3,(H2,15,20).
What are the key properties of 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide?
2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide has a molecular weight of 291.36 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 66167212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).