tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate

C19H23N3O3 — CID 67509164

IUPACtert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-16(12-20)17(23)14-9-7-13(8-10-14)15-6-4-5-11-21-15/h4-11,16H,12,20H2,1-3H3,(H,22,24)
InChIKeyDDIVHKAMRXRBPO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate

tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 67509164) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
PubChem CID67509164
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-16(12-20)17(23)14-9-7-13(8-10-14)15-6-4-5-11-21-15/h4-11,16H,12,20H2,1-3H3,(H,22,24)
InChIKeyDDIVHKAMRXRBPO-UHFFFAOYSA-N
XLogP2.78
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-amino-1-oxo-3-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate
CID 67775660
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)propanoate
CID 177203996
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[[(2R)-3-methyl-2-(4-pyridin-2-ylphenyl)butyl]carbamoyl]phenyl]propanoate
CID 145116307
tert-butyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1-phenyl-6-(4-pyridin-2-ylphenyl)hexan-2-yl]carbamate
CID 11605032
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
tert-butyl N-(3-amino-1-oxo-1-thiophen-2-ylpropan-2-yl)carbamate
CID 67508736
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
[(2S,3R,5S)-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]carbamic acid
CID 68793095
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-pyrazin-2-ylphenyl)propanoate
CID 18660602

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate (CID 67509164) is tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CN)C(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate?
The InChIKey is DDIVHKAMRXRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-16(12-20)17(23)14-9-7-13(8-10-14)15-6-4-5-11-21-15/h4-11,16H,12,20H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate?
tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-1-oxo-1-(4-pyridin-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 67509164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).