2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C21H25N3O2 — CID 18794242

IUPAC2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C21H25N3O2/c1-24(2)17-6-4-15(5-7-17)12-21(25)22-11-10-16-14-23-20-9-8-18(26-3)13-19(16)20/h4-9,13-14,23H,10-12H2,1-3H3,(H,22,25)
InChIKeyDTPBQNBQSUSKRN-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.14
Rot. Bonds7

About 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 18794242) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID18794242
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C21H25N3O2/c1-24(2)17-6-4-15(5-7-17)12-21(25)22-11-10-16-14-23-20-9-8-18(26-3)13-19(16)20/h4-9,13-14,23H,10-12H2,1-3H3,(H,22,25)
InChIKeyDTPBQNBQSUSKRN-UHFFFAOYSA-N
XLogP3.14
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 129111066
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 18794242) is 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)Cc3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is DTPBQNBQSUSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24(2)17-6-4-15(5-7-17)12-21(25)22-11-10-16-14-23-20-9-8-18(26-3)13-19(16)20/h4-9,13-14,23H,10-12H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 18794242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).