N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide

C19H21N3O — CID 47088608

IUPACN-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESCN(C)c1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H21N3O/c1-22(2)16-7-5-6-14(10-16)12-21-19(23)11-15-13-20-18-9-4-3-8-17(15)18/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyAOJMLOYYFZBMSX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.09
Rot. Bonds5

About N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide

N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 47088608) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID47088608
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
SMILESCN(C)c1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H21N3O/c1-22(2)16-7-5-6-14(10-16)12-21-19(23)11-15-13-20-18-9-4-3-8-17(15)18/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyAOJMLOYYFZBMSX-UHFFFAOYSA-N
XLogP3.09
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110470852
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110794606
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide (CID 47088608) is N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide is CN(C)c1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is AOJMLOYYFZBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-22(2)16-7-5-6-14(10-16)12-21-19(23)11-15-13-20-18-9-4-3-8-17(15)18/h3-10,13,20H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide?
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 47088608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).