N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide

C16H23N3O — CID 60961087

IUPACN,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-19(4-2)16(20)9-10-17-11-13-12-18-15-8-6-5-7-14(13)15/h5-8,12,17-18H,3-4,9-11H2,1-2H3
InChIKeyXRIHQJFANMRWAK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.52
Rot. Bonds7

About N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide

N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide (PubChem CID 60961087) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
PubChem CID60961087
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-19(4-2)16(20)9-10-17-11-13-12-18-15-8-6-5-7-14(13)15/h5-8,12,17-18H,3-4,9-11H2,1-2H3
InChIKeyXRIHQJFANMRWAK-UHFFFAOYSA-N
XLogP2.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
methyl 2-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]benzoate
CID 60925943
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide (CID 60961087) is N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide is CCN(CC)C(=O)CCNCc1c[nH]c2ccccc12.
What is the InChIKey of N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide?
The InChIKey is XRIHQJFANMRWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(4-2)16(20)9-10-17-11-13-12-18-15-8-6-5-7-14(13)15/h5-8,12,17-18H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide?
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide is sourced from PubChem (CID 60961087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).