3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide

C32H35N3O3 — CID 10649344

IUPAC3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
SMILESCN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)c1cccc(CN)c1)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C32H35N3O3/c1-34(29(22-36)19-23-9-4-3-5-10-23)32(38)30(20-24-15-16-26-12-6-7-13-27(26)17-24)35(2)31(37)28-14-8-11-25(18-28)21-33/h3-18,29-30,36H,19-22,33H2,1-2H3/t29-,30-/m1/s1
InChIKeyUWVSBSPAESNIEK-LOYHVIPDSA-N
MW509.65 g/mol
LogP4.04
Rot. Bonds10

About 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide

3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide (PubChem CID 10649344) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
PubChem CID10649344
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
SMILESCN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)c1cccc(CN)c1)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C32H35N3O3/c1-34(29(22-36)19-23-9-4-3-5-10-23)32(38)30(20-24-15-16-26-12-6-7-13-27(26)17-24)35(2)31(37)28-14-8-11-25(18-28)21-33/h3-18,29-30,36H,19-22,33H2,1-2H3/t29-,30-/m1/s1
InChIKeyUWVSBSPAESNIEK-LOYHVIPDSA-N
XLogP4.04
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide?
The IUPAC name of 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide (CID 10649344) is 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide is CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)c1cccc(CN)c1)[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide?
The InChIKey is UWVSBSPAESNIEK-LOYHVIPDSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-34(29(22-36)19-23-9-4-3-5-10-23)32(38)30(20-24-15-16-26-12-6-7-13-27(26)17-24)35(2)31(37)28-14-8-11-25(18-28)21-33/h3-18,29-30,36H,19-22,33H2,1-2H3/t29-,30-/m1/s1.
What are the key properties of 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide?
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide has a molecular weight of 509.65 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 10649344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).