N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide

C19H28N4O4 — CID 12807519

IUPACN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1
InChIInChI=1S/C19H28N4O4/c1-12(2)17(25)22-13-6-7-16(15(8-13)18-23-21-11-27-18)26-10-14(24)9-20-19(3,4)5/h6-8,11-12,14,20,24H,9-10H2,1-5H3,(H,22,25)
InChIKeyMOABQPXVCJTBKB-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.46
Rot. Bonds8

About N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide

N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 12807519) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID12807519
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1
InChIInChI=1S/C19H28N4O4/c1-12(2)17(25)22-13-6-7-16(15(8-13)18-23-21-11-27-18)26-10-14(24)9-20-19(3,4)5/h6-8,11-12,14,20,24H,9-10H2,1-5H3,(H,22,25)
InChIKeyMOABQPXVCJTBKB-UHFFFAOYSA-N
XLogP2.46
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide (CID 12807519) is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1.
What is the InChIKey of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is MOABQPXVCJTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12(2)17(25)22-13-6-7-16(15(8-13)18-23-21-11-27-18)26-10-14(24)9-20-19(3,4)5/h6-8,11-12,14,20,24H,9-10H2,1-5H3,(H,22,25).
What are the key properties of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide?
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 376.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 12807519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).