N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

C18H23N3O3 — CID 71868369

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C18H23N3O3/c1-13-14(15-4-2-3-5-16(15)20-13)6-8-19-17(22)21-9-7-18(12-21)23-10-11-24-18/h2-5,20H,6-12H2,1H3,(H,19,22)
InChIKeyVPFDYZPLTLWTHQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.18
Rot. Bonds3

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71868369) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71868369
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C18H23N3O3/c1-13-14(15-4-2-3-5-16(15)20-13)6-8-19-17(22)21-9-7-18(12-21)23-10-11-24-18/h2-5,20H,6-12H2,1H3,(H,19,22)
InChIKeyVPFDYZPLTLWTHQ-UHFFFAOYSA-N
XLogP2.18
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15071480
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CID 95604431
N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 84592892
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3-(azepan-1-ylmethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 86888651
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 86949500
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
4-[(4-fluorophenyl)methyl]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86882888
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 127273242
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71868369) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC2(C1)OCCO2.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is VPFDYZPLTLWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-14(15-4-2-3-5-16(15)20-13)6-8-19-17(22)21-9-7-18(12-21)23-10-11-24-18/h2-5,20H,6-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71868369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).