3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide

C14H19N3O — CID 119320787

IUPAC3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
SMILESNCCC(=O)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c15-8-7-14(18)16-9-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9,15H2,(H,16,18)
InChIKeyYUCFARFHRCOQEI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.57
Rot. Bonds6

About 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide

3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide (PubChem CID 119320787) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
PubChem CID119320787
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
SMILESNCCC(=O)NCCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c15-8-7-14(18)16-9-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9,15H2,(H,16,18)
InChIKeyYUCFARFHRCOQEI-UHFFFAOYSA-N
XLogP1.57
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
3-(1H-indol-3-yl)-N-pentylpropanamide;3-(1H-indol-3-yl)propanoic acid;pentan-1-amine
CID 159813673
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide (CID 119320787) is 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide is NCCC(=O)NCCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide?
The InChIKey is YUCFARFHRCOQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-8-7-14(18)16-9-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9,15H2,(H,16,18).
What are the key properties of 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide?
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide has a molecular weight of 245.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide is sourced from PubChem (CID 119320787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).