4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide

C31H35N7O7 — CID 162038272

IUPAC4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
SMILESCOCC(=O)NCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1.COCC(=O)NCCNC(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C19H20N2O4.C12H15N5O3/c1-25-13-17(22)20-11-12-21-19(24)16-9-7-15(8-10-16)18(23)14-5-3-2-4-6-14;1-20-8-11(18)14-6-7-15-12(19)9-2-4-10(5-3-9)16-17-13/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24);2-5H,6-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyYWXYBOWPYGPHSW-UHFFFAOYSA-N
MW617.66 g/mol
LogP2.53
Rot. Bonds15

About 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide

4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide (PubChem CID 162038272) has the molecular formula C31H35N7O7 and a molecular weight of 617.66 g/mol. Its IUPAC name is 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
PubChem CID162038272
Molecular FormulaC31H35N7O7
Molecular Weight617.66 g/mol
Exact Mass617.26
IUPAC Name4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
SMILESCOCC(=O)NCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1.COCC(=O)NCCNC(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C19H20N2O4.C12H15N5O3/c1-25-13-17(22)20-11-12-21-19(24)16-9-7-15(8-10-16)18(23)14-5-3-2-4-6-14;1-20-8-11(18)14-6-7-15-12(19)9-2-4-10(5-3-9)16-17-13/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24);2-5H,6-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyYWXYBOWPYGPHSW-UHFFFAOYSA-N
XLogP2.53
TPSA200.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.66
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 159843457
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
CID 10250562
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
methyl 2-[(4-azidobenzoyl)amino]ethanimidate;hydrochloride
CID 3037786
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide (CID 162038272) is 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide is COCC(=O)NCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1.COCC(=O)NCCNC(=O)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The InChIKey is YWXYBOWPYGPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.C12H15N5O3/c1-25-13-17(22)20-11-12-21-19(24)16-9-7-15(8-10-16)18(23)14-5-3-2-4-6-14;1-20-8-11(18)14-6-7-15-12(19)9-2-4-10(5-3-9)16-17-13/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24);2-5H,6-8H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide has a molecular weight of 617.66 g/mol, XLogP of 2.53, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide;4-benzoyl-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 162038272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).