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

C18H27N3O4 — CID 175136889

IUPACN-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)O)[nH]c2c1.CNC
InChIInChI=1S/C16H20N2O4.C2H7N/c1-10(2)22-11-7-13-12(9-14(17-13)16(19)20)15(8-11)18-3-5-21-6-4-18;1-3-2/h7-10,17H,3-6H2,1-2H3,(H,19,20);3H,1-2H3
InChIKeyRJPAXVHZUYWMPH-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.33
Rot. Bonds4

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

N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid (PubChem CID 175136889) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound NameN-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid
PubChem CID175136889
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)O)[nH]c2c1.CNC
InChIInChI=1S/C16H20N2O4.C2H7N/c1-10(2)22-11-7-13-12(9-14(17-13)16(19)20)15(8-11)18-3-5-21-6-4-18;1-3-2/h7-10,17H,3-6H2,1-2H3,(H,19,20);3H,1-2H3
InChIKeyRJPAXVHZUYWMPH-UHFFFAOYSA-N
XLogP2.33
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634225
6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
CID 175135260
2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 156634195
2-morpholin-4-ylethyl 4-cyclohexyloxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634424
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634395
4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one
CID 169236234
2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634339
2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
CID 169236508
ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
CID 16740402
2-morpholin-4-ylethyl 6-piperidin-1-yl-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634200
2-morpholin-4-ylethyl 6-cyclohexyloxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634217
2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
CID 156634349

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
The IUPAC name of N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid (CID 175136889) is N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
The canonical SMILES for N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid is CC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)O)[nH]c2c1.CNC.
What is the InChIKey of N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
The InChIKey is RJPAXVHZUYWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4.C2H7N/c1-10(2)22-11-7-13-12(9-14(17-13)16(19)20)15(8-11)18-3-5-21-6-4-18;1-3-2/h7-10,17H,3-6H2,1-2H3,(H,19,20);3H,1-2H3.
What are the key properties of N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid?
N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 175136889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).