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

C24H38N4O4 — CID 12797434

IUPACN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1
InChIInChI=1S/C24H38N4O4/c1-5-6-7-8-9-10-11-22(30)27-18-12-13-21(20(14-18)23-28-26-17-32-23)31-16-19(29)15-25-24(2,3)4/h12-14,17,19,25,29H,5-11,15-16H2,1-4H3,(H,27,30)
InChIKeyRRNNMBQJJYFPAP-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.55
Rot. Bonds14

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

N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide (PubChem CID 12797434) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide.

Molecular Properties

Compound NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide
PubChem CID12797434
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(-c2nnco2)c1
InChIInChI=1S/C24H38N4O4/c1-5-6-7-8-9-10-11-22(30)27-18-12-13-21(20(14-18)23-28-26-17-32-23)31-16-19(29)15-25-24(2,3)4/h12-14,17,19,25,29H,5-11,15-16H2,1-4H3,(H,27,30)
InChIKeyRRNNMBQJJYFPAP-UHFFFAOYSA-N
XLogP4.55
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]heptanamide
CID 12797430
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]heptanamide
CID 12797431
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]hexanamide
CID 12797432
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]octanamide
CID 12797433
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]decanamide
CID 12797435
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]undecanamide
CID 12797436
N-[3-(1,3,4-oxadiazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 12799316
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 12799317
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-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexanecarboxamide
CID 12807521
1-[2-(1,3,4-Oxadiazol-2-yl)-phenoxy]-3-[4-(2-methoxyphenyl)-piperazin-1-yl]-propan-2-ol
CID 12961751

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide?
The IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide (CID 12797434) is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide.
What is the SMILES notation for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide?
The canonical SMILES for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide is CCCCCCCCC(=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]nonanamide?
The InChIKey is RRNNMBQJJYFPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-5-6-7-8-9-10-11-22(30)27-18-12-13-21(20(14-18)23-28-26-17-32-23)31-16-19(29)15-25-24(2,3)4/h12-14,17,19,25,29H,5-11,15-16H2,1-4H3,(H,27,30).
What are the key properties of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide?
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]nonanamide has a molecular weight of 446.59 g/mol, XLogP of 4.55, 14 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]nonanamide is sourced from PubChem (CID 12797434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).