(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide

C16H21N3O3 — CID 102169963

IUPAC(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
SMILESCCNC(=O)[C@H](Cc1c[nH]c2ccc(OC)cc12)NC(C)=O
InChIInChI=1S/C16H21N3O3/c1-4-17-16(21)15(19-10(2)20)7-11-9-18-14-6-5-12(22-3)8-13(11)14/h5-6,8-9,15,18H,4,7H2,1-3H3,(H,17,21)(H,19,20)/t15-/m0/s1
InChIKeySESRQDAKGURWTR-HNNXBMFYSA-N
MW303.36 g/mol
LogP1.36
Rot. Bonds6

About (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide

(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide (PubChem CID 102169963) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
PubChem CID102169963
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
SMILESCCNC(=O)[C@H](Cc1c[nH]c2ccc(OC)cc12)NC(C)=O
InChIInChI=1S/C16H21N3O3/c1-4-17-16(21)15(19-10(2)20)7-11-9-18-14-6-5-12(22-3)8-13(11)14/h5-6,8-9,15,18H,4,7H2,1-3H3,(H,17,21)(H,19,20)/t15-/m0/s1
InChIKeySESRQDAKGURWTR-HNNXBMFYSA-N
XLogP1.36
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
CID 22309405
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
(2R)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54263574
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-3-(1H-indol-3-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]pentanamide
CID 71660941

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide (CID 102169963) is (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide is CCNC(=O)[C@H](Cc1c[nH]c2ccc(OC)cc12)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide?
The InChIKey is SESRQDAKGURWTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-17-16(21)15(19-10(2)20)7-11-9-18-14-6-5-12(22-3)8-13(11)14/h5-6,8-9,15,18H,4,7H2,1-3H3,(H,17,21)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide?
(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide has a molecular weight of 303.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide is sourced from PubChem (CID 102169963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).