(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone

C18H25N3O2 — CID 166749535

IUPAC(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
SMILESCCC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C1(N)C(C)C
InChIInChI=1S/C18H25N3O2/c1-5-12-10-21(18(12,19)11(2)3)17(22)15-9-13-14(20-15)7-6-8-16(13)23-4/h6-9,11-12,20H,5,10,19H2,1-4H3
InChIKeyXLRBAKSKFZVROT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.97
Rot. Bonds4

About (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone

(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone (PubChem CID 166749535) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
PubChem CID166749535
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
SMILESCCC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C1(N)C(C)C
InChIInChI=1S/C18H25N3O2/c1-5-12-10-21(18(12,19)11(2)3)17(22)15-9-13-14(20-15)7-6-8-16(13)23-4/h6-9,11-12,20H,5,10,19H2,1-4H3
InChIKeyXLRBAKSKFZVROT-UHFFFAOYSA-N
XLogP2.97
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
CID 166840060
[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 158732514
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171530353
(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 167076958
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide
CID 162478809
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone (CID 166749535) is (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone is CCC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C1(N)C(C)C.
What is the InChIKey of (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The InChIKey is XLRBAKSKFZVROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-12-10-21(18(12,19)11(2)3)17(22)15-9-13-14(20-15)7-6-8-16(13)23-4/h6-9,11-12,20H,5,10,19H2,1-4H3.
What are the key properties of (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 166749535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).