2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide

C25H32ClN3O3 — CID 15605735

IUPAC2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3ccccc3Cl)c[nH]c12
InChIInChI=1S/C25H32ClN3O3/c1-4-29(5-2)24(31)16-32-23-12-8-10-19-18(14-28-25(19)23)13-17(3)27-15-22(30)20-9-6-7-11-21(20)26/h6-12,14,17,22,27-28,30H,4-5,13,15-16H2,1-3H3/t17-,22+/m1/s1
InChIKeyGDYHGGQACZHADL-VGSWGCGISA-N
MW458.00 g/mol
LogP4.32
Rot. Bonds11

About 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide

2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide (PubChem CID 15605735) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
PubChem CID15605735
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3ccccc3Cl)c[nH]c12
InChIInChI=1S/C25H32ClN3O3/c1-4-29(5-2)24(31)16-32-23-12-8-10-19-18(14-28-25(19)23)13-17(3)27-15-22(30)20-9-6-7-11-21(20)26/h6-12,14,17,22,27-28,30H,4-5,13,15-16H2,1-3H3/t17-,22+/m1/s1
InChIKeyGDYHGGQACZHADL-VGSWGCGISA-N
XLogP4.32
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
CID 69459178
2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
CID 139809913
tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 12045561
benzyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 139809915
3-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid
CID 69457737
2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 18628145
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 69457645
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
The IUPAC name of 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide (CID 15605735) is 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3ccccc3Cl)c[nH]c12.
What is the InChIKey of 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
The InChIKey is GDYHGGQACZHADL-VGSWGCGISA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-4-29(5-2)24(31)16-32-23-12-8-10-19-18(14-28-25(19)23)13-17(3)27-15-22(30)20-9-6-7-11-21(20)26/h6-12,14,17,22,27-28,30H,4-5,13,15-16H2,1-3H3/t17-,22+/m1/s1.
What are the key properties of 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide?
2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide has a molecular weight of 458.00 g/mol, XLogP of 4.32, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide is sourced from PubChem (CID 15605735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).