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

C18H27N3O2 — CID 125143497

IUPACN-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
SMILESCCOc1cccc2[nH]cc(CC(=O)NC[C@H](C)CN(C)C)c12
InChIInChI=1S/C18H27N3O2/c1-5-23-16-8-6-7-15-18(16)14(11-19-15)9-17(22)20-10-13(2)12-21(3)4/h6-8,11,13,19H,5,9-10,12H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyDVGVUFHNSGOSSI-ZDUSSCGKSA-N
MW317.43 g/mol
LogP2.42
Rot. Bonds8

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

N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide (PubChem CID 125143497) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
PubChem CID125143497
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
SMILESCCOc1cccc2[nH]cc(CC(=O)NC[C@H](C)CN(C)C)c12
InChIInChI=1S/C18H27N3O2/c1-5-23-16-8-6-7-15-18(16)14(11-19-15)9-17(22)20-10-13(2)12-21(3)4/h6-8,11,13,19H,5,9-10,12H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyDVGVUFHNSGOSSI-ZDUSSCGKSA-N
XLogP2.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-1H-indol-3-yl)-N-[(2S)-2-hydroxypent-4-ynyl]acetamide
CID 125419727
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125144179
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
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
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120524391
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide (CID 125143497) is N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide is CCOc1cccc2[nH]cc(CC(=O)NC[C@H](C)CN(C)C)c12.
What is the InChIKey of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
The InChIKey is DVGVUFHNSGOSSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-23-16-8-6-7-15-18(16)14(11-19-15)9-17(22)20-10-13(2)12-21(3)4/h6-8,11,13,19H,5,9-10,12H2,1-4H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide?
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(dimethylamino)-2-methylpropyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 125143497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).