N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide

C17H25N3O — CID 102915998

IUPACN,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
SMILESCCCNCc1ccc2c(ccn2CCC(=O)N(C)C)c1
InChIInChI=1S/C17H25N3O/c1-4-9-18-13-14-5-6-16-15(12-14)7-10-20(16)11-8-17(21)19(2)3/h5-7,10,12,18H,4,8-9,11,13H2,1-3H3
InChIKeyNYRDWYXCKREHNF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.62
Rot. Bonds7

About N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide

N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide (PubChem CID 102915998) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
PubChem CID102915998
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
SMILESCCCNCc1ccc2c(ccn2CCC(=O)N(C)C)c1
InChIInChI=1S/C17H25N3O/c1-4-9-18-13-14-5-6-16-15(12-14)7-10-20(16)11-8-17(21)19(2)3/h5-7,10,12,18H,4,8-9,11,13H2,1-3H3
InChIKeyNYRDWYXCKREHNF-UHFFFAOYSA-N
XLogP2.62
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide (CID 102915998) is N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide is CCCNCc1ccc2c(ccn2CCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide?
The InChIKey is NYRDWYXCKREHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-9-18-13-14-5-6-16-15(12-14)7-10-20(16)11-8-17(21)19(2)3/h5-7,10,12,18H,4,8-9,11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide?
N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide is sourced from PubChem (CID 102915998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).