N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide

C24H29N3O4 — CID 46517704

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2c[nH]c3ccccc23)N2CCOCC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-29-22-8-7-17(13-23(22)30-2)21(27-9-11-31-12-10-27)16-26-24(28)14-18-15-25-20-6-4-3-5-19(18)20/h3-8,13,15,21,25H,9-12,14,16H2,1-2H3,(H,26,28)
InChIKeyIOPCAERKPHZUEK-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 46517704) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID46517704
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2c[nH]c3ccccc23)N2CCOCC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-29-22-8-7-17(13-23(22)30-2)21(27-9-11-31-12-10-27)16-26-24(28)14-18-15-25-20-6-4-3-5-19(18)20/h3-8,13,15,21,25H,9-12,14,16H2,1-2H3,(H,26,28)
InChIKeyIOPCAERKPHZUEK-UHFFFAOYSA-N
XLogP2.92
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46521724
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 30549132
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 43045688
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24646941
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide (CID 46517704) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide is COc1ccc(C(CNC(=O)Cc2c[nH]c3ccccc23)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is IOPCAERKPHZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-29-22-8-7-17(13-23(22)30-2)21(27-9-11-31-12-10-27)16-26-24(28)14-18-15-25-20-6-4-3-5-19(18)20/h3-8,13,15,21,25H,9-12,14,16H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 46517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).