2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C16H16N4O3 — CID 169325921

IUPAC2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccccc2N=[N+]=[N-])cc1
InChIInChI=1S/C16H16N4O3/c1-22-12-6-8-13(9-7-12)23-11-10-18-16(21)14-4-2-3-5-15(14)19-20-17/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyVLHDCAQRTTVZAT-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.45
Rot. Bonds7

About 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide

2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 169325921) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID169325921
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccccc2N=[N+]=[N-])cc1
InChIInChI=1S/C16H16N4O3/c1-22-12-6-8-13(9-7-12)23-11-10-18-16(21)14-4-2-3-5-15(14)19-20-17/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyVLHDCAQRTTVZAT-UHFFFAOYSA-N
XLogP3.45
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
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-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
2-chloro-N-[2-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111409987
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 169367330
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 169325921) is 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2ccccc2N=[N+]=[N-])cc1.
What is the InChIKey of 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is VLHDCAQRTTVZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-22-12-6-8-13(9-7-12)23-11-10-18-16(21)14-4-2-3-5-15(14)19-20-17/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide has a molecular weight of 312.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 169325921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).