N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide

C13H15N5O — CID 61342489

IUPACN-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide
SMILES[N-]=[N+]=NCCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N5O/c14-18-17-8-7-15-13(19)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,19)
InChIKeyDAHMVSJLWVNYTL-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.53
Rot. Bonds6

About N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide

N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 61342489) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID61342489
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide
SMILES[N-]=[N+]=NCCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N5O/c14-18-17-8-7-15-13(19)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,19)
InChIKeyDAHMVSJLWVNYTL-UHFFFAOYSA-N
XLogP2.53
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide (CID 61342489) is N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide is [N-]=[N+]=NCCNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is DAHMVSJLWVNYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-18-17-8-7-15-13(19)6-5-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-8H2,(H,15,19).
What are the key properties of N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide?
N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 257.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 61342489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).