N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide

C18H27N3O2 — CID 113210143

IUPACN-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)NCCCN(C)C)c2c1
InChIInChI=1S/C18H27N3O2/c1-18(2,17(22)19-9-6-10-21(3)4)15-12-20-16-8-7-13(23-5)11-14(15)16/h7-8,11-12,20H,6,9-10H2,1-5H3,(H,19,22)
InChIKeyAQZMDRGJJOLYDM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.52
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide

N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210143) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210143
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)NCCCN(C)C)c2c1
InChIInChI=1S/C18H27N3O2/c1-18(2,17(22)19-9-6-10-21(3)4)15-12-20-16-8-7-13(23-5)11-14(15)16/h7-8,11-12,20H,6,9-10H2,1-5H3,(H,19,22)
InChIKeyAQZMDRGJJOLYDM-UHFFFAOYSA-N
XLogP2.52
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113210171
N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210204
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210161
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
N-(5-chloro-2-methoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210235
N-(2,4-dimethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210213
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide (CID 113210143) is N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide is COc1ccc2[nH]cc(C(C)(C)C(=O)NCCCN(C)C)c2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is AQZMDRGJJOLYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,17(22)19-9-6-10-21(3)4)15-12-20-16-8-7-13(23-5)11-14(15)16/h7-8,11-12,20H,6,9-10H2,1-5H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).