N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide

C10H17N5O2 — CID 171478476

IUPACN-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide
SMILESC=CC(=O)NC(CCCC)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C10H17N5O2/c1-3-5-6-8(13-9(16)4-2)14-10(17)7-12-15-11/h4,8H,2-3,5-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyLYEFLFYXAYRYJH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.23
Rot. Bonds8

About N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide

N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide (PubChem CID 171478476) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide
PubChem CID171478476
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide
SMILESC=CC(=O)NC(CCCC)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C10H17N5O2/c1-3-5-6-8(13-9(16)4-2)14-10(17)7-12-15-11/h4,8H,2-3,5-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyLYEFLFYXAYRYJH-UHFFFAOYSA-N
XLogP1.23
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-azido-N-heptan-2-ylacetamide
CID 61374566
N-tridecan-5-ylprop-2-enamide
CID 141277245
2-azido-N-octylacetamide
CID 91620085
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide
CID 141139976
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
3,3-bis(prop-2-enoylamino)propyl-trimethylazanium
CID 87735347
N-tetradecan-3-ylprop-2-enamide
CID 54185556
1-azidohexan-2-ol
CID 11171039
(E,4R)-1-azido-2-iodo-4-methyloct-2-ene
CID 42631461
N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
CID 89197910

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide?
The IUPAC name of N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide (CID 171478476) is N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide.
What is the SMILES notation for N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide?
The canonical SMILES for N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide is C=CC(=O)NC(CCCC)NC(=O)CN=[N+]=[N-].
What is the InChIKey of N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide?
The InChIKey is LYEFLFYXAYRYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-5-6-8(13-9(16)4-2)14-10(17)7-12-15-11/h4,8H,2-3,5-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide?
N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide is sourced from PubChem (CID 171478476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).