tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate

C19H31N3O4 — CID 118230319

IUPACtert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate
SMILESCCCN(CC(N)CNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O4/c1-5-11-22(18(24)26-19(2,3)4)13-16(20)12-21-17(23)25-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14,20H2,1-4H3,(H,21,23)
InChIKeyGZGARIYWCVCOMI-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.89
Rot. Bonds8

About tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate

tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate (PubChem CID 118230319) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate
PubChem CID118230319
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nametert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate
SMILESCCCN(CC(N)CNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O4/c1-5-11-22(18(24)26-19(2,3)4)13-16(20)12-21-17(23)25-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14,20H2,1-4H3,(H,21,23)
InChIKeyGZGARIYWCVCOMI-UHFFFAOYSA-N
XLogP2.89
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
benzyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 58903925
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[1-(phenylmethoxycarbonylamino)propan-2-yl]amino]acetate
CID 23510759
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane
CID 142297237
benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 58672505
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(phenylmethoxycarbonylamino)propyl]amino]acetate
CID 22727258
benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
CID 153440550
ethyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 56992389
benzyl N-[(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 118181204
benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
benzyl (2S)-3-[acetyloxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate
CID 170214413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate (CID 118230319) is tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate is CCCN(CC(N)CNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate?
The InChIKey is GZGARIYWCVCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-5-11-22(18(24)26-19(2,3)4)13-16(20)12-21-17(23)25-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14,20H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate?
tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate has a molecular weight of 365.47 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate is sourced from PubChem (CID 118230319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).