[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone

C25H32N2O2 — CID 21313355

IUPAC[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c(C)n2C(=O)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-17(2)26(18(3)4)15-14-22-19(5)27(25(28)20-10-8-7-9-11-20)24-13-12-21(29-6)16-23(22)24/h7-13,16-18H,14-15H2,1-6H3
InChIKeyYAODBKTYHZMIDS-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.31
Rot. Bonds7

About [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone

[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone (PubChem CID 21313355) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
PubChem CID21313355
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c(C)n2C(=O)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-17(2)26(18(3)4)15-14-22-19(5)27(25(28)20-10-8-7-9-11-20)24-13-12-21(29-6)16-23(22)24/h7-13,16-18H,14-15H2,1-6H3
InChIKeyYAODBKTYHZMIDS-UHFFFAOYSA-N
XLogP5.31
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone with MolForge

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Related Compounds

[3-[2-[benzyl(tert-butyl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-(4-fluorophenyl)methanone
CID 21313304
4-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]butanoic acid
CID 11235754
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate
CID 18995222
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
tert-butyl [2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10840575
2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 118618271
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
CID 67563567

Frequently Asked Questions

What is the IUPAC name of [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
The IUPAC name of [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone (CID 21313355) is [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
The canonical SMILES for [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone is COc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c(C)n2C(=O)c1ccccc1.
What is the InChIKey of [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
The InChIKey is YAODBKTYHZMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(2)26(18(3)4)15-14-22-19(5)27(25(28)20-10-8-7-9-11-20)24-13-12-21(29-6)16-23(22)24/h7-13,16-18H,14-15H2,1-6H3.
What are the key properties of [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone?
[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone has a molecular weight of 392.54 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone is sourced from PubChem (CID 21313355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).