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

C17H24N4O4 — CID 12799317

IUPACN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1
InChIInChI=1S/C17H24N4O4/c1-11(22)20-12-5-6-15(14(7-12)16-21-19-10-25-16)24-9-13(23)8-18-17(2,3)4/h5-7,10,13,18,23H,8-9H2,1-4H3,(H,20,22)
InChIKeyCSGDVPAUNNQYBM-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.82
Rot. Bonds7

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

N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 12799317) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID12799317
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1
InChIInChI=1S/C17H24N4O4/c1-11(22)20-12-5-6-15(14(7-12)16-21-19-10-25-16)24-9-13(23)8-18-17(2,3)4/h5-7,10,13,18,23H,8-9H2,1-4H3,(H,20,22)
InChIKeyCSGDVPAUNNQYBM-UHFFFAOYSA-N
XLogP1.82
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide
CID 12807519
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 12807520
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide
CID 21405179
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methylphenyl]-3-prop-2-enylurea
CID 14853124
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 21490518
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
(E)-but-2-enedioic acid;bis(1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone)
CID 24832569
3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid;hydrochloride
CID 139024800
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 12799317) is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is CC(=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]acetamide?
The InChIKey is CSGDVPAUNNQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11(22)20-12-5-6-15(14(7-12)16-21-19-10-25-16)24-9-13(23)8-18-17(2,3)4/h5-7,10,13,18,23H,8-9H2,1-4H3,(H,20,22).
What are the key properties of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 1.82, 7 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]acetamide is sourced from PubChem (CID 12799317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).