6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine

C16H24N2O4 — CID 175135260

IUPAC6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
SMILESCCOc1cc(OC(C)C)c2cc(C(=O)O)[nH]c2c1.CNC
InChIInChI=1S/C14H17NO4.C2H7N/c1-4-18-9-5-11-10(7-12(15-11)14(16)17)13(6-9)19-8(2)3;1-3-2/h5-8,15H,4H2,1-3H3,(H,16,17);3H,1-2H3
InChIKeyMDAVGVGMXJMLRI-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.89
Rot. Bonds5

About 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine

6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine (PubChem CID 175135260) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine.

Molecular Properties

Compound Name6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
PubChem CID175135260
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
SMILESCCOc1cc(OC(C)C)c2cc(C(=O)O)[nH]c2c1.CNC
InChIInChI=1S/C14H17NO4.C2H7N/c1-4-18-9-5-11-10(7-12(15-11)14(16)17)13(6-9)19-8(2)3;1-3-2/h5-8,15H,4H2,1-3H3,(H,16,17);3H,1-2H3
InChIKeyMDAVGVGMXJMLRI-UHFFFAOYSA-N
XLogP2.89
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-diethoxy-1H-indole-2-carboxylic acid
CID 7141872
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
methyl 6-acetyloxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634324
4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 172696431
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
CID 70213565
2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
CID 156634349
2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634339
3-bromo-5-ethoxy-4-propan-2-yloxybenzoic acid
CID 8706851
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one
CID 146611640
2-morpholin-4-ylethyl 6-cyclohexyloxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634217

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine?
The IUPAC name of 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine (CID 175135260) is 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine.
What is the SMILES notation for 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine?
The canonical SMILES for 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine is CCOc1cc(OC(C)C)c2cc(C(=O)O)[nH]c2c1.CNC.
What is the InChIKey of 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine?
The InChIKey is MDAVGVGMXJMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4.C2H7N/c1-4-18-9-5-11-10(7-12(15-11)14(16)17)13(6-9)19-8(2)3;1-3-2/h5-8,15H,4H2,1-3H3,(H,16,17);3H,1-2H3.
What are the key properties of 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine?
6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine has a molecular weight of 308.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine is sourced from PubChem (CID 175135260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).