N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide

C23H29N3O2 — CID 86898302

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide
SMILESCCn1cc(CC(=O)Nc2ccc(OCCCN(C)C)cc2)c2ccccc21
InChIInChI=1S/C23H29N3O2/c1-4-26-17-18(21-8-5-6-9-22(21)26)16-23(27)24-19-10-12-20(13-11-19)28-15-7-14-25(2)3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,24,27)
InChIKeyOPDIILHEUUZLTG-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds9

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide (PubChem CID 86898302) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide
PubChem CID86898302
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide
SMILESCCn1cc(CC(=O)Nc2ccc(OCCCN(C)C)cc2)c2ccccc21
InChIInChI=1S/C23H29N3O2/c1-4-26-17-18(21-8-5-6-9-22(21)26)16-23(27)24-19-10-12-20(13-11-19)28-15-7-14-25(2)3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,24,27)
InChIKeyOPDIILHEUUZLTG-UHFFFAOYSA-N
XLogP4.17
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
CID 18582412
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 86898266

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide (CID 86898302) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide is CCn1cc(CC(=O)Nc2ccc(OCCCN(C)C)cc2)c2ccccc21.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide?
The InChIKey is OPDIILHEUUZLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-26-17-18(21-8-5-6-9-22(21)26)16-23(27)24-19-10-12-20(13-11-19)28-15-7-14-25(2)3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide is sourced from PubChem (CID 86898302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).