2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

C17H22N2O4 — CID 950923

IUPAC2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)CN(C)CC3OCCO3)c2c1
InChIInChI=1S/C17H22N2O4/c1-11-17(13-8-12(21-3)4-5-14(13)18-11)15(20)9-19(2)10-16-22-6-7-23-16/h4-5,8,16,18H,6-7,9-10H2,1-3H3
InChIKeyIPTDPJZLQJDKSW-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.97
Rot. Bonds6

About 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 950923) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID950923
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)CN(C)CC3OCCO3)c2c1
InChIInChI=1S/C17H22N2O4/c1-11-17(13-8-12(21-3)4-5-14(13)18-11)15(20)9-19(2)10-16-22-6-7-23-16/h4-5,8,16,18H,6-7,9-10H2,1-3H3
InChIKeyIPTDPJZLQJDKSW-UHFFFAOYSA-N
XLogP1.97
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

Bis(1H-2-indolyl)methanone 45
CID 5330541
Bis(1H-2-indolyl)methanone deriv. 49
CID 5330545
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 179552
Ethyl 5-methoxy-3-methyl-1H-indole-2-carboxylate
CID 604590
5-methoxy-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 10850395
1-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)ethanone
CID 744720
glycine, N,N-dimethyl-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester
CID 644355
Bis(1H-2-indolyl)methanone 42
CID 5330538
Bis(1H-2-indolyl)methanone 43
CID 5330539
1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methyl-1H-indol-3-yl]ethanone
CID 931244
Ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
ethyl 3-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
CID 658909

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 950923) is 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is COc1ccc2[nH]c(C)c(C(=O)CN(C)CC3OCCO3)c2c1.
What is the InChIKey of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is IPTDPJZLQJDKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-17(13-8-12(21-3)4-5-14(13)18-11)15(20)9-19(2)10-16-22-6-7-23-16/h4-5,8,16,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 318.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 950923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).