methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate

C28H35N3O5 — CID 18765471

IUPACmethyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1c(C)n(CCCN2CCOCC2)c2c(OC)cccc12
InChIInChI=1S/C28H35N3O5/c1-20-25(27(32)29-23(28(33)35-3)19-21-9-5-4-6-10-21)22-11-7-12-24(34-2)26(22)31(20)14-8-13-30-15-17-36-18-16-30/h4-7,9-12,23H,8,13-19H2,1-3H3,(H,29,32)
InChIKeyHZZZAHIGYWIALB-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.19
Rot. Bonds10

About methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate

methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate (PubChem CID 18765471) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate
PubChem CID18765471
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Namemethyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1c(C)n(CCCN2CCOCC2)c2c(OC)cccc12
InChIInChI=1S/C28H35N3O5/c1-20-25(27(32)29-23(28(33)35-3)19-21-9-5-4-6-10-21)22-11-7-12-24(34-2)26(22)31(20)14-8-13-30-15-17-36-18-16-30/h4-7,9-12,23H,8,13-19H2,1-3H3,(H,29,32)
InChIKeyHZZZAHIGYWIALB-UHFFFAOYSA-N
XLogP3.19
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate (CID 18765471) is methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1c(C)n(CCCN2CCOCC2)c2c(OC)cccc12.
What is the InChIKey of methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is HZZZAHIGYWIALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-20-25(27(32)29-23(28(33)35-3)19-21-9-5-4-6-10-21)22-11-7-12-24(34-2)26(22)31(20)14-8-13-30-15-17-36-18-16-30/h4-7,9-12,23H,8,13-19H2,1-3H3,(H,29,32).
What are the key properties of methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate?
methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 493.60 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 18765471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).