tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate

C16H24N2O4 — CID 95336152

IUPACtert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H24N2O4/c1-5-12(18-15(20)22-16(2,3)4)11-8-6-7-9-13(11)21-10-14(17)19/h6-9,12H,5,10H2,1-4H3,(H2,17,19)(H,18,20)/t12-/m1/s1
InChIKeyBKJNODLHWQDPDM-GFCCVEGCSA-N
MW308.38 g/mol
LogP2.53
Rot. Bonds6

About tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate

tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate (PubChem CID 95336152) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
PubChem CID95336152
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H24N2O4/c1-5-12(18-15(20)22-16(2,3)4)11-8-6-7-9-13(11)21-10-14(17)19/h6-9,12H,5,10H2,1-4H3,(H2,17,19)(H,18,20)/t12-/m1/s1
InChIKeyBKJNODLHWQDPDM-GFCCVEGCSA-N
XLogP2.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methoxybutanoate
CID 95772717
tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
CID 136584911
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 140747337
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]prop-2-enamide
CID 55992224
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate (CID 95336152) is tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC(N)=O.
What is the InChIKey of tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate?
The InChIKey is BKJNODLHWQDPDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-12(18-15(20)22-16(2,3)4)11-8-6-7-9-13(11)21-10-14(17)19/h6-9,12H,5,10H2,1-4H3,(H2,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate?
tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate is sourced from PubChem (CID 95336152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).