tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate

C15H23N3O3 — CID 113055221

IUPACtert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccn1
InChIInChI=1S/C15H23N3O3/c1-12(19)18(11-13-7-5-6-8-16-13)10-9-17-14(20)21-15(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,20)
InChIKeyCJPWMTUYFJBCGU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.95
Rot. Bonds5

About tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate

tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate (PubChem CID 113055221) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
PubChem CID113055221
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccn1
InChIInChI=1S/C15H23N3O3/c1-12(19)18(11-13-7-5-6-8-16-13)10-9-17-14(20)21-15(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,20)
InChIKeyCJPWMTUYFJBCGU-UHFFFAOYSA-N
XLogP1.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
tert-butyl N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]carbamate
CID 113054791
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 113055189
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
tert-butyl N-[3-oxo-3-(pyridin-2-ylmethoxyamino)propyl]carbamate
CID 154760878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate (CID 113055221) is tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate is CC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccn1.
What is the InChIKey of tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate?
The InChIKey is CJPWMTUYFJBCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(19)18(11-13-7-5-6-8-16-13)10-9-17-14(20)21-15(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate?
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate is sourced from PubChem (CID 113055221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).