N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C21H31N3O2 — CID 70759934

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NCC3(N(C)C)CCOCC3)c2c1
InChIInChI=1S/C21H31N3O2/c1-14-10-15(2)20-18(11-14)17(16(3)23-20)12-19(25)22-13-21(24(4)5)6-8-26-9-7-21/h10-11,23H,6-9,12-13H2,1-5H3,(H,22,25)
InChIKeyDNNHBHBMZXHWSY-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.86
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 70759934) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID70759934
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NCC3(N(C)C)CCOCC3)c2c1
InChIInChI=1S/C21H31N3O2/c1-14-10-15(2)20-18(11-14)17(16(3)23-20)12-19(25)22-13-21(24(4)5)6-8-26-9-7-21/h10-11,23H,6-9,12-13H2,1-5H3,(H,22,25)
InChIKeyDNNHBHBMZXHWSY-UHFFFAOYSA-N
XLogP2.86
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118789434
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774373
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 6249873
N-[1-(1,3-thiazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774748
3-bromo-N-[2-(2,5,7-trimethyl-1H-indol-3-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959677
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 97152669
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[3-(methanesulfonamido)phenyl]urea
CID 72917359
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119155
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)ethanone
CID 97119156
4-[3-(2,5,7-trimethyl-1H-indol-3-yl)propyl]morpholine
CID 170871014
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106102844

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 70759934) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is Cc1cc(C)c2[nH]c(C)c(CC(=O)NCC3(N(C)C)CCOCC3)c2c1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is DNNHBHBMZXHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-10-15(2)20-18(11-14)17(16(3)23-20)12-19(25)22-13-21(24(4)5)6-8-26-9-7-21/h10-11,23H,6-9,12-13H2,1-5H3,(H,22,25).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70759934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).