[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

C23H25N3O4 — CID 30755132

IUPAC[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H25N3O4/c27-22(16-30-23(28)20-14-24-21-8-4-3-7-19(20)21)25-13-17-5-1-2-6-18(17)15-26-9-11-29-12-10-26/h1-8,14,24H,9-13,15-16H2,(H,25,27)
InChIKeySZKVYJGMTFOVME-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.47
Rot. Bonds7

About [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 30755132) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID30755132
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H25N3O4/c27-22(16-30-23(28)20-14-24-21-8-4-3-7-19(20)21)25-13-17-5-1-2-6-18(17)15-26-9-11-29-12-10-26/h1-8,14,24H,9-13,15-16H2,(H,25,27)
InChIKeySZKVYJGMTFOVME-UHFFFAOYSA-N
XLogP2.47
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30765096
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethoxy)acetamide
CID 110642768
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 30755132) is [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is SZKVYJGMTFOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-22(16-30-23(28)20-14-24-21-8-4-3-7-19(20)21)25-13-17-5-1-2-6-18(17)15-26-9-11-29-12-10-26/h1-8,14,24H,9-13,15-16H2,(H,25,27).
What are the key properties of [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 30755132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).