3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C23H29N3O4 — CID 90677061

IUPAC3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(N)CC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4/c1-15-11-16-7-5-6-8-19(16)26(15)10-9-25-22(27)14-18(24)17-12-20(28-2)23(30-4)21(13-17)29-3/h5-8,11-13,18H,9-10,14,24H2,1-4H3,(H,25,27)
InChIKeyVKFCXGAWMZRRHJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.18
Rot. Bonds9

About 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 90677061) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID90677061
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(C(N)CC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4/c1-15-11-16-7-5-6-8-19(16)26(15)10-9-25-22(27)14-18(24)17-12-20(28-2)23(30-4)21(13-17)29-3/h5-8,11-13,18H,9-10,14,24H2,1-4H3,(H,25,27)
InChIKeyVKFCXGAWMZRRHJ-UHFFFAOYSA-N
XLogP3.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3655068
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 47014489
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 90677061) is 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(C(N)CC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is VKFCXGAWMZRRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15-11-16-7-5-6-8-19(16)26(15)10-9-25-22(27)14-18(24)17-12-20(28-2)23(30-4)21(13-17)29-3/h5-8,11-13,18H,9-10,14,24H2,1-4H3,(H,25,27).
What are the key properties of 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 411.50 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 90677061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).