tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

C33H44N4O6 — CID 71060399

IUPACtert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCN1C(=O)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1c1ccccc1
InChIInChI=1S/C33H44N4O6/c1-31(2,3)43-30(41)35-32(4,5)28(39)34-25(21-42-20-23-14-9-7-10-15-23)27(38)37-19-13-18-33(22-37)26(36(6)29(33)40)24-16-11-8-12-17-24/h7-12,14-17,25-26H,13,18-22H2,1-6H3,(H,34,39)(H,35,41)/t25-,26?,33?/m1/s1
InChIKeyRMHKLWZYXPFFSV-YGKSQIIXSA-N
MW592.74 g/mol
LogP3.81
Rot. Bonds9

About tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 71060399) has the molecular formula C33H44N4O6 and a molecular weight of 592.74 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID71060399
Molecular FormulaC33H44N4O6
Molecular Weight592.74 g/mol
Exact Mass592.33
IUPAC Nametert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCN1C(=O)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1c1ccccc1
InChIInChI=1S/C33H44N4O6/c1-31(2,3)43-30(41)35-32(4,5)28(39)34-25(21-42-20-23-14-9-7-10-15-23)27(38)37-19-13-18-33(22-37)26(36(6)29(33)40)24-16-11-8-12-17-24/h7-12,14-17,25-26H,13,18-22H2,1-6H3,(H,34,39)(H,35,41)/t25-,26?,33?/m1/s1
InChIKeyRMHKLWZYXPFFSV-YGKSQIIXSA-N
XLogP3.81
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71060357
2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 71060255
2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 90010435
2-amino-2-methyl-N-[1-oxo-1-[(4S,5R)-1-oxo-4-phenyl-2-(2,2,2-trifluoroethyl)-2,9-diazaspiro[4.5]decan-9-yl]-3-phenylmethoxypropan-2-yl]propanamide
CID 71060571
2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060417
tert-butyl N-[1-[[(2R)-1-(5-bromo-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 22875133
tert-butyl N-[2-methyl-1-oxo-1-[[(2R)-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)pyrrol-3-yl]amino]-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]carbamate
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(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(4-methylphenyl)methoxy]propanoic acid
CID 71076042
tert-butyl N-[1-[[(2R)-1-(7-benzamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 139781047
[1-[[1-(8a-benzyl-6-oxo-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 21255916
tert-butyl N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 18396335
tert-butyl N-[(2S)-1-[(2S)-2-acetylpyrrolidin-1-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 142698252

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate (CID 71060399) is tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate is CN1C(=O)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1c1ccccc1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is RMHKLWZYXPFFSV-YGKSQIIXSA-N. The full InChI is InChI=1S/C33H44N4O6/c1-31(2,3)43-30(41)35-32(4,5)28(39)34-25(21-42-20-23-14-9-7-10-15-23)27(38)37-19-13-18-33(22-37)26(36(6)29(33)40)24-16-11-8-12-17-24/h7-12,14-17,25-26H,13,18-22H2,1-6H3,(H,34,39)(H,35,41)/t25-,26?,33?/m1/s1.
What are the key properties of tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 592.74 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71060399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).