N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C17H30N4O4 — CID 163977516

IUPACN-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCCCCC(CCCCNC(=O)COCc1nc(C)no1)NC(C)=O
InChIInChI=1S/C17H30N4O4/c1-4-5-8-15(20-14(3)22)9-6-7-10-18-16(23)11-24-12-17-19-13(2)21-25-17/h15H,4-12H2,1-3H3,(H,18,23)(H,20,22)
InChIKeySVMDNVPZNFUPIC-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.88
Rot. Bonds13

About N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 163977516) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID163977516
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC NameN-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCCCCC(CCCCNC(=O)COCc1nc(C)no1)NC(C)=O
InChIInChI=1S/C17H30N4O4/c1-4-5-8-15(20-14(3)22)9-6-7-10-18-16(23)11-24-12-17-19-13(2)21-25-17/h15H,4-12H2,1-3H3,(H,18,23)(H,20,22)
InChIKeySVMDNVPZNFUPIC-UHFFFAOYSA-N
XLogP1.88
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 71932293
3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
CID 119170018
4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid
CID 119253072
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
CID 43469726
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
N-[3-(2-hydroxyethoxy)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113364770
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
2-amino-5-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 114186098
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
butyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416401
N-(5-acetamidoheptyl)acetamide
CID 59001684
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 163977516) is N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is CCCCC(CCCCNC(=O)COCc1nc(C)no1)NC(C)=O.
What is the InChIKey of N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is SVMDNVPZNFUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-4-5-8-15(20-14(3)22)9-6-7-10-18-16(23)11-24-12-17-19-13(2)21-25-17/h15H,4-12H2,1-3H3,(H,18,23)(H,20,22).
What are the key properties of N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.88, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 163977516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).