N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide

C18H24N2O3 — CID 125144179

IUPACN-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
SMILESCCOc1cccc2[nH]cc(CC(=O)NC[C@@H](OC)C3CC3)c12
InChIInChI=1S/C18H24N2O3/c1-3-23-15-6-4-5-14-18(15)13(10-19-14)9-17(21)20-11-16(22-2)12-7-8-12/h4-6,10,12,16,19H,3,7-9,11H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyAPFIGXJHZZRGCY-MRXNPFEDSA-N
MW316.40 g/mol
LogP2.65
Rot. Bonds8

About N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide

N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide (PubChem CID 125144179) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
PubChem CID125144179
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
SMILESCCOc1cccc2[nH]cc(CC(=O)NC[C@@H](OC)C3CC3)c12
InChIInChI=1S/C18H24N2O3/c1-3-23-15-6-4-5-14-18(15)13(10-19-14)9-17(21)20-11-16(22-2)12-7-8-12/h4-6,10,12,16,19H,3,7-9,11H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyAPFIGXJHZZRGCY-MRXNPFEDSA-N
XLogP2.65
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125143497
2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
CID 125419727
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
4-ethoxy-3-ethyl-1H-indole
CID 171816854
N-[(3S)-4,4-dimethyloxolan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 126454768
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide (CID 125144179) is N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide is CCOc1cccc2[nH]cc(CC(=O)NC[C@@H](OC)C3CC3)c12.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The InChIKey is APFIGXJHZZRGCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-23-15-6-4-5-14-18(15)13(10-19-14)9-17(21)20-11-16(22-2)12-7-8-12/h4-6,10,12,16,19H,3,7-9,11H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 125144179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).