N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide

C18H27N3O — CID 70821613

IUPACN-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
SMILESCC[C@H](Cc1ccc2[nH]cc(CCN(C)C)c2c1)NC(C)=O
InChIInChI=1S/C18H27N3O/c1-5-16(20-13(2)22)10-14-6-7-18-17(11-14)15(12-19-18)8-9-21(3)4/h6-7,11-12,16,19H,5,8-10H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyWQKNYKKPSBNYJX-MRXNPFEDSA-N
MW301.43 g/mol
LogP2.73
Rot. Bonds7

About N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide

N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide (PubChem CID 70821613) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
PubChem CID70821613
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
SMILESCC[C@H](Cc1ccc2[nH]cc(CCN(C)C)c2c1)NC(C)=O
InChIInChI=1S/C18H27N3O/c1-5-16(20-13(2)22)10-14-6-7-18-17(11-14)15(12-19-18)8-9-21(3)4/h6-7,11-12,16,19H,5,8-10H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyWQKNYKKPSBNYJX-MRXNPFEDSA-N
XLogP2.73
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
CID 70858282
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 21188875
N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen
CID 143888648
3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 69189057
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
bis(N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine);oxalic acid;hydrate
CID 67698373

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide (CID 70821613) is N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide is CC[C@H](Cc1ccc2[nH]cc(CCN(C)C)c2c1)NC(C)=O.
What is the InChIKey of N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide?
The InChIKey is WQKNYKKPSBNYJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-5-16(20-13(2)22)10-14-6-7-18-17(11-14)15(12-19-18)8-9-21(3)4/h6-7,11-12,16,19H,5,8-10H2,1-4H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide?
N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide is sourced from PubChem (CID 70821613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).