tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

C17H26N2O3 — CID 10494880

IUPACtert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
SMILESCCNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-6-18-15(20)14(12-13-10-8-7-9-11-13)19(5)16(21)22-17(2,3)4/h7-11,14H,6,12H2,1-5H3,(H,18,20)/t14-/m1/s1
InChIKeyJOGBUAWWKCIIRH-CQSZACIVSA-N
MW306.41 g/mol
LogP2.60
Rot. Bonds5

About tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate (PubChem CID 10494880) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
PubChem CID10494880
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
SMILESCCNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-6-18-15(20)14(12-13-10-8-7-9-11-13)19(5)16(21)22-17(2,3)4/h7-11,14H,6,12H2,1-5H3,(H,18,20)/t14-/m1/s1
InChIKeyJOGBUAWWKCIIRH-CQSZACIVSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 54358970
tert-butyl N-methyl-N-[(2S)-1-oxo-3-phenyl-1-(2-propylsulfanylethylamino)propan-2-yl]carbamate
CID 54376676
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 7015126
tert-butyl N-[1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10598474
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 7010683
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-[2-(phenylmethoxyamino)ethyl]phenyl]propanoic acid
CID 138741230
(2R)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 7010681
3-(4-tert-butylphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 137360249
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 7010603
3-(4-iodophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 22327028
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-sulfanylphenyl)propanoic acid
CID 71243392
3-(4-aminophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 175152142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate (CID 10494880) is tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate is CCNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
The InChIKey is JOGBUAWWKCIIRH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-18-15(20)14(12-13-10-8-7-9-11-13)19(5)16(21)22-17(2,3)4/h7-11,14H,6,12H2,1-5H3,(H,18,20)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate has a molecular weight of 306.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 10494880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).