tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate

C21H32N2O5 — CID 70192644

IUPACtert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate
SMILESCC(CCC(=O)NCC(=O)COCc1ccccc1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C21H32N2O5/c1-16(12-23-20(26)28-21(2,3)4)10-11-19(25)22-13-18(24)15-27-14-17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyKQLPJIRKZZUSSJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.83
Rot. Bonds11

About tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate

tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate (PubChem CID 70192644) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate
PubChem CID70192644
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Nametert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate
SMILESCC(CCC(=O)NCC(=O)COCc1ccccc1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C21H32N2O5/c1-16(12-23-20(26)28-21(2,3)4)10-11-19(25)22-13-18(24)15-27-14-17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyKQLPJIRKZZUSSJ-UHFFFAOYSA-N
XLogP2.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
CID 140879382
tert-butyl 3-oxo-4-phenylmethoxybutanoate
CID 12035485
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
benzyl 4-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoyl]amino]butanoate
CID 167709782
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
benzyl 3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 175453126
tert-butyl N-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
benzyl N-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 77305270
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate (CID 70192644) is tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate is CC(CCC(=O)NCC(=O)COCc1ccccc1)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate?
The InChIKey is KQLPJIRKZZUSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-16(12-23-20(26)28-21(2,3)4)10-11-19(25)22-13-18(24)15-27-14-17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate?
tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-5-oxo-5-[(2-oxo-3-phenylmethoxypropyl)amino]pentyl]carbamate is sourced from PubChem (CID 70192644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).