3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

C27H29N3O2 — CID 71035632

IUPAC3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C27H29N3O2/c1-30(17-20-8-3-2-4-9-20)18-21-10-7-11-22(14-21)27(32)29-24(19-31)15-23-16-28-26-13-6-5-12-25(23)26/h2-14,16,24,28,31H,15,17-19H2,1H3,(H,29,32)/t24-/m1/s1
InChIKeyWQTGAMJTQIFDGV-XMMPIXPASA-N
MW427.55 g/mol
LogP4.13
Rot. Bonds9

About 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (PubChem CID 71035632) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
PubChem CID71035632
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C27H29N3O2/c1-30(17-20-8-3-2-4-9-20)18-21-10-7-11-22(14-21)27(32)29-24(19-31)15-23-16-28-26-13-6-5-12-25(23)26/h2-14,16,24,28,31H,15,17-19H2,1H3,(H,29,32)/t24-/m1/s1
InChIKeyWQTGAMJTQIFDGV-XMMPIXPASA-N
XLogP4.13
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 74428987
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
9-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid
CID 25207554
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-methyl-3-(3-propan-2-ylphenyl)benzamide
CID 58832177
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(naphthalen-2-ylsulfinylamino)benzamide
CID 140999561
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(hydroxymethyl)-2-propan-2-yloxybenzamide
CID 71036031
5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (CID 71035632) is 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
The InChIKey is WQTGAMJTQIFDGV-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29N3O2/c1-30(17-20-8-3-2-4-9-20)18-21-10-7-11-22(14-21)27(32)29-24(19-31)15-23-16-28-26-13-6-5-12-25(23)26/h2-14,16,24,28,31H,15,17-19H2,1H3,(H,29,32)/t24-/m1/s1.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 71035632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).