tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate

C32H40N2O4 — CID 118675610

IUPACtert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate
SMILESC[C@@H](O[C@H](c1ccccc1)[C@H](CN(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1)C(=O)N1CCCC1
InChIInChI=1S/C32H40N2O4/c1-23(30(35)34-19-11-12-20-34)37-29(25-14-7-6-8-15-25)28(22-33(5)31(36)38-32(2,3)4)27-18-17-24-13-9-10-16-26(24)21-27/h6-10,13-18,21,23,28-29H,11-12,19-20,22H2,1-5H3/t23-,28-,29-/m1/s1
InChIKeyRGOHBGHDPHKCNW-HCLMJZEPSA-N
MW516.68 g/mol
LogP6.56
Rot. Bonds8

About tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate

tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate (PubChem CID 118675610) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate
PubChem CID118675610
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC Nametert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate
SMILESC[C@@H](O[C@H](c1ccccc1)[C@H](CN(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1)C(=O)N1CCCC1
InChIInChI=1S/C32H40N2O4/c1-23(30(35)34-19-11-12-20-34)37-29(25-14-7-6-8-15-25)28(22-33(5)31(36)38-32(2,3)4)27-18-17-24-13-9-10-16-26(24)21-27/h6-10,13-18,21,23,28-29H,11-12,19-20,22H2,1-5H3/t23-,28-,29-/m1/s1
InChIKeyRGOHBGHDPHKCNW-HCLMJZEPSA-N
XLogP6.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3S)-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-2-naphthalen-2-yl-3-phenylpropyl]-N-methylcarbamate
CID 140861319
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] naphthalene-2-sulfonate
CID 87402091
[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] 2-phenylpropanoate
CID 67438948
2-bromo-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]-N-methylacetamide
CID 118675458
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256
2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide
CID 118675529
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
CID 57376493
tert-butyl 4-[2-[methoxy(methyl)amino]-1-naphthalen-2-yl-2-oxoethyl]piperazine-1-carboxylate
CID 89098000
2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 43326380

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate (CID 118675610) is tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate is C[C@@H](O[C@H](c1ccccc1)[C@H](CN(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate?
The InChIKey is RGOHBGHDPHKCNW-HCLMJZEPSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-23(30(35)34-19-11-12-20-34)37-29(25-14-7-6-8-15-25)28(22-33(5)31(36)38-32(2,3)4)27-18-17-24-13-9-10-16-26(24)21-27/h6-10,13-18,21,23,28-29H,11-12,19-20,22H2,1-5H3/t23-,28-,29-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate?
tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate has a molecular weight of 516.68 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2S,3S)-2-naphthalen-2-yl-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxy-3-phenylpropyl]carbamate is sourced from PubChem (CID 118675610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).