N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide

C17H23N3O7 — CID 70951114

IUPACN-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide
SMILESNCCNC(=O)COc1ccc2[nH]cc(O[C@H]3CC(O)[C@@H](O)C(O)O3)c2c1
InChIInChI=1S/C17H23N3O7/c18-3-4-19-14(22)8-25-9-1-2-11-10(5-9)13(7-20-11)26-15-6-12(21)16(23)17(24)27-15/h1-2,5,7,12,15-17,20-21,23-24H,3-4,6,8,18H2,(H,19,22)/t12?,15-,16-,17?/m1/s1
InChIKeyGGMDGLAZJYBFIX-UNXMRWRESA-N
MW381.39 g/mol
LogP-1.21
Rot. Bonds7

About N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide

N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide (PubChem CID 70951114) has the molecular formula C17H23N3O7 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide
PubChem CID70951114
Molecular FormulaC17H23N3O7
Molecular Weight381.39 g/mol
Exact Mass381.15
IUPAC NameN-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide
SMILESNCCNC(=O)COc1ccc2[nH]cc(O[C@H]3CC(O)[C@@H](O)C(O)O3)c2c1
InChIInChI=1S/C17H23N3O7/c18-3-4-19-14(22)8-25-9-1-2-11-10(5-9)13(7-20-11)26-15-6-12(21)16(23)17(24)27-15/h1-2,5,7,12,15-17,20-21,23-24H,3-4,6,8,18H2,(H,19,22)/t12?,15-,16-,17?/m1/s1
InChIKeyGGMDGLAZJYBFIX-UNXMRWRESA-N
XLogP-1.21
TPSA159.29 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 5-1.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
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N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
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CID 71826977
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
N-(2-aminoethyl)-2-(4-benzylphenoxy)acetamide
CID 62275392
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CID 119384409
2-[[3-[(2S)-3-methoxy-2-methyl-3-oxopropyl]-1H-indol-5-yl]oxy]acetic acid
CID 59909911

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide (CID 70951114) is N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide is NCCNC(=O)COc1ccc2[nH]cc(O[C@H]3CC(O)[C@@H](O)C(O)O3)c2c1.
What is the InChIKey of N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide?
The InChIKey is GGMDGLAZJYBFIX-UNXMRWRESA-N. The full InChI is InChI=1S/C17H23N3O7/c18-3-4-19-14(22)8-25-9-1-2-11-10(5-9)13(7-20-11)26-15-6-12(21)16(23)17(24)27-15/h1-2,5,7,12,15-17,20-21,23-24H,3-4,6,8,18H2,(H,19,22)/t12?,15-,16-,17?/m1/s1.
What are the key properties of N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide?
N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide has a molecular weight of 381.39 g/mol, XLogP of -1.21, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[3-[(2R,5R)-4,5,6-trihydroxyoxan-2-yl]oxy-1H-indol-5-yl]oxy]acetamide is sourced from PubChem (CID 70951114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).