N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide

C12H15N5O2 — CID 61344378

IUPACN-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
SMILES[N-]=[N+]=NCCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C12H15N5O2/c13-17-16-8-4-7-14-11(18)9-15-12(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,18)(H,15,19)
InChIKeyTYTRZKHKBOZPOX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.23
Rot. Bonds7

About N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide

N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide (PubChem CID 61344378) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
PubChem CID61344378
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
SMILES[N-]=[N+]=NCCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C12H15N5O2/c13-17-16-8-4-7-14-11(18)9-15-12(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,18)(H,15,19)
InChIKeyTYTRZKHKBOZPOX-UHFFFAOYSA-N
XLogP1.23
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.23
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-(3-azidopropyl)-3-phenylpropanamide
CID 61344003
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834
N-(3-azidopropyl)-2-pyridin-2-ylacetamide
CID 55139148
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide (CID 61344378) is N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide is [N-]=[N+]=NCCCNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide?
The InChIKey is TYTRZKHKBOZPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-17-16-8-4-7-14-11(18)9-15-12(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,18)(H,15,19).
What are the key properties of N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide?
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 61344378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).