(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

C32H36N4O2 — CID 20587656

IUPAC(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C32H36N4O2/c1-33-29(22-25-16-17-26-13-7-8-14-27(26)21-25)31(37)36(3)30(23-24-11-5-4-6-12-24)32(38)35(2)20-18-28-15-9-10-19-34-28/h4-17,19,21,29-30,33H,18,20,22-23H2,1-3H3/t29-,30-/m1/s1
InChIKeySYQWGVDUVGFMBL-LOYHVIPDSA-N
MW508.67 g/mol
LogP4.14
Rot. Bonds11

About (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 20587656) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID20587656
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C32H36N4O2/c1-33-29(22-25-16-17-26-13-7-8-14-27(26)21-25)31(37)36(3)30(23-24-11-5-4-6-12-24)32(38)35(2)20-18-28-15-9-10-19-34-28/h4-17,19,21,29-30,33H,18,20,22-23H2,1-3H3/t29-,30-/m1/s1
InChIKeySYQWGVDUVGFMBL-LOYHVIPDSA-N
XLogP4.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
[1-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-2-phenylethyl] N-methylcarbamate
CID 174391365
N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 18704633
(2R)-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 54363069
2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 22327096
[1-[[1-[acetamido(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
CID 18704643
(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 54043462
(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 15906447
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 10791760
(2S)-6-acetamido-N,N-dimethyl-2-[[2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CID 70292290
(2R)-N-[(2R)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 11113984
tert-butyl N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 70068091

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (CID 20587656) is (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)CCc1ccccn1.
What is the InChIKey of (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is SYQWGVDUVGFMBL-LOYHVIPDSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-33-29(22-25-16-17-26-13-7-8-14-27(26)21-25)31(37)36(3)30(23-24-11-5-4-6-12-24)32(38)35(2)20-18-28-15-9-10-19-34-28/h4-17,19,21,29-30,33H,18,20,22-23H2,1-3H3/t29-,30-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 508.67 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 20587656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).