4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide

C15H19N5O2 — CID 102482741

IUPAC4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide
SMILESC=C(C)C(=O)NCCCNC(=O)c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C15H19N5O2/c1-11(2)14(21)17-8-3-9-18-15(22)13-6-4-12(5-7-13)10-19-20-16/h4-7H,1,3,8-10H2,2H3,(H,17,21)(H,18,22)
InChIKeyHLDQFWFWIUFWQN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.31
Rot. Bonds8

About 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide

4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide (PubChem CID 102482741) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide
PubChem CID102482741
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide
SMILESC=C(C)C(=O)NCCCNC(=O)c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C15H19N5O2/c1-11(2)14(21)17-8-3-9-18-15(22)13-6-4-12(5-7-13)10-19-20-16/h4-7H,1,3,8-10H2,2H3,(H,17,21)(H,18,22)
InChIKeyHLDQFWFWIUFWQN-UHFFFAOYSA-N
XLogP2.31
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-N-[(3S)-3-(methylamino)butyl]benzamide
CID 174020315
4-(azidomethyl)-N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propyl]benzamide
CID 122579596
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
CID 59903019
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
CID 59667984
N-(2-azidoethyl)-4-iodobenzamide
CID 61342879
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide
CID 68565424
N-(4-azidobutyl)-4-nitrobenzamide
CID 114182192
N-pentyl-4-propylbenzamide
CID 70894308

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide?
The IUPAC name of 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide (CID 102482741) is 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide.
What is the SMILES notation for 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide?
The canonical SMILES for 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide is C=C(C)C(=O)NCCCNC(=O)c1ccc(CN=[N+]=[N-])cc1.
What is the InChIKey of 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide?
The InChIKey is HLDQFWFWIUFWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11(2)14(21)17-8-3-9-18-15(22)13-6-4-12(5-7-13)10-19-20-16/h4-7H,1,3,8-10H2,2H3,(H,17,21)(H,18,22).
What are the key properties of 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide?
4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-N-[3-(2-methylprop-2-enoylamino)propyl]benzamide is sourced from PubChem (CID 102482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).