N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide

C19H29N3O3 — CID 901727

IUPACN-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OC[C@H](O)CNC(C)(C)C)cc12
InChIInChI=1S/C19H29N3O3/c1-13(23)20-8-7-14-10-21-18-6-5-16(9-17(14)18)25-12-15(24)11-22-19(2,3)4/h5-6,9-10,15,21-22,24H,7-8,11-12H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyYHWFSLPHIBXEHP-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.97
Rot. Bonds8

About N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 901727) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
PubChem CID901727
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OC[C@H](O)CNC(C)(C)C)cc12
InChIInChI=1S/C19H29N3O3/c1-13(23)20-8-7-14-10-21-18-6-5-16(9-17(14)18)25-12-15(24)11-22-19(2,3)4/h5-6,9-10,15,21-22,24H,7-8,11-12H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyYHWFSLPHIBXEHP-OAHLLOKOSA-N
XLogP1.97
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]-N-(propan-2-ylideneamino)acetamide
CID 56695967
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 122684754
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
CID 57379273
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-enoate
CID 140861796
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide (CID 901727) is N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(OC[C@H](O)CNC(C)(C)C)cc12.
What is the InChIKey of N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is YHWFSLPHIBXEHP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(23)20-8-7-14-10-21-18-6-5-16(9-17(14)18)25-12-15(24)11-22-19(2,3)4/h5-6,9-10,15,21-22,24H,7-8,11-12H2,1-4H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.97, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 901727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).