tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate

C21H28N2O2 — CID 3449857

IUPACtert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)25-20(24)23-19(14-17-10-6-4-7-11-17)16-22-15-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,23,24)
InChIKeyYQRWWUPCBIEOPJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.91
Rot. Bonds7

About tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate

tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate (PubChem CID 3449857) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
PubChem CID3449857
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Nametert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)25-20(24)23-19(14-17-10-6-4-7-11-17)16-22-15-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,23,24)
InChIKeyYQRWWUPCBIEOPJ-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-5-(benzylamino)-4-hydroxy-1-phenylpentan-2-yl]carbamate
CID 66832875
tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetate
CID 122600516
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
(2S)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59611140
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
(2S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]butanoic acid
CID 68713650
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate (CID 3449857) is tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CNCc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate?
The InChIKey is YQRWWUPCBIEOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)25-20(24)23-19(14-17-10-6-4-7-11-17)16-22-15-18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate has a molecular weight of 340.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 3449857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).