4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide

C23H25N3O4 — CID 49418941

IUPAC4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCOC(C(N)=O)C2)cc1
InChIInChI=1S/C23H25N3O4/c1-29-16-8-6-15(7-9-16)22-18(17-4-2-3-5-19(17)25-22)10-11-21(27)26-12-13-30-20(14-26)23(24)28/h2-9,20,25H,10-14H2,1H3,(H2,24,28)
InChIKeyCAGIRDSRZZCSCV-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.49
Rot. Bonds6

About 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide

4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide (PubChem CID 49418941) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide
PubChem CID49418941
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCOC(C(N)=O)C2)cc1
InChIInChI=1S/C23H25N3O4/c1-29-16-8-6-15(7-9-16)22-18(17-4-2-3-5-19(17)25-22)10-11-21(27)26-12-13-30-20(14-26)23(24)28/h2-9,20,25H,10-14H2,1H3,(H2,24,28)
InChIKeyCAGIRDSRZZCSCV-UHFFFAOYSA-N
XLogP2.49
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 85458363
(2S)-4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxylic acid
CID 125120622
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 55415175
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[(4S)-4-methylazepan-1-yl]propan-1-one
CID 52537504
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 18275748
2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 34433425
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 134024061
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 55490748
1-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452065
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 16595064
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 26973103

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide (CID 49418941) is 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCOC(C(N)=O)C2)cc1.
What is the InChIKey of 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide?
The InChIKey is CAGIRDSRZZCSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-16-8-6-15(7-9-16)22-18(17-4-2-3-5-19(17)25-22)10-11-21(27)26-12-13-30-20(14-26)23(24)28/h2-9,20,25H,10-14H2,1H3,(H2,24,28).
What are the key properties of 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide?
4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49418941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).