N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide

C24H31N3O3 — CID 69459872

IUPACN,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)c[nH]c12
InChIInChI=1S/C24H31N3O3/c1-4-27(5-2)24(30)21-8-6-7-20-18(15-26-22(20)21)13-14-25-16(3)23(29)17-9-11-19(28)12-10-17/h6-12,15-16,23,25-26,28-29H,4-5,13-14H2,1-3H3/t16-,23-/m0/s1
InChIKeyPAZNFNFAJKHXLH-HJPURHCSSA-N
MW409.53 g/mol
LogP3.61
Rot. Bonds9

About N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide

N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide (PubChem CID 69459872) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide
PubChem CID69459872
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)c[nH]c12
InChIInChI=1S/C24H31N3O3/c1-4-27(5-2)24(30)21-8-6-7-20-18(15-26-22(20)21)13-14-25-16(3)23(29)17-9-11-19(28)12-10-17/h6-12,15-16,23,25-26,28-29H,4-5,13-14H2,1-3H3/t16-,23-/m0/s1
InChIKeyPAZNFNFAJKHXLH-HJPURHCSSA-N
XLogP3.61
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxylate
CID 69459879
[3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indol-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 69460233
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]-2-methylpropanoic acid
CID 10690668
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
ethyl 2-[2,5-dichloro-4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetate
CID 57453229
1-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]octan-3-one
CID 110183311
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
3-[(dimethylamino)methyl]-1H-indole-7-carboxylic acid
CID 593496
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide (CID 69459872) is N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide is CCN(CC)C(=O)c1cccc2c(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)c[nH]c12.
What is the InChIKey of N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide?
The InChIKey is PAZNFNFAJKHXLH-HJPURHCSSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-27(5-2)24(30)21-8-6-7-20-18(15-26-22(20)21)13-14-25-16(3)23(29)17-9-11-19(28)12-10-17/h6-12,15-16,23,25-26,28-29H,4-5,13-14H2,1-3H3/t16-,23-/m0/s1.
What are the key properties of N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide?
N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.61, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 69459872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).