3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide

C21H25N3O2 — CID 46989574

IUPAC3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCC(O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H25N3O2/c22-21(26)10-11-24-15-17(19-8-4-5-9-20(19)24)13-23-14-18(25)12-16-6-2-1-3-7-16/h1-9,15,18,23,25H,10-14H2,(H2,22,26)
InChIKeyGMDTVCCLOOOLCY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.21
Rot. Bonds9

About 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide

3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide (PubChem CID 46989574) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
PubChem CID46989574
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CNCC(O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H25N3O2/c22-21(26)10-11-24-15-17(19-8-4-5-9-20(19)24)13-23-14-18(25)12-16-6-2-1-3-7-16/h1-9,15,18,23,25H,10-14H2,(H2,22,26)
InChIKeyGMDTVCCLOOOLCY-UHFFFAOYSA-N
XLogP2.21
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
methyl 3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanoate
CID 66403285
2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 66400947
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide
CID 46999116
3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide
CID 46989963

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide (CID 46989574) is 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide is NC(=O)CCn1cc(CNCC(O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide?
The InChIKey is GMDTVCCLOOOLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-21(26)10-11-24-15-17(19-8-4-5-9-20(19)24)13-23-14-18(25)12-16-6-2-1-3-7-16/h1-9,15,18,23,25H,10-14H2,(H2,22,26).
What are the key properties of 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide?
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46989574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).