N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

C19H27N3O4 — CID 42458281

IUPACN-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCOCCCNC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1
InChIInChI=1S/C19H27N3O4/c1-3-25-14-4-13-20-17(23)10-12-19-22-21-18(26-19)11-7-15-5-8-16(24-2)9-6-15/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23)
InChIKeySXGWPTSJUPXCKO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.34
Rot. Bonds12

About N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42458281) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42458281
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCOCCCNC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1
InChIInChI=1S/C19H27N3O4/c1-3-25-14-4-13-20-17(23)10-12-19-22-21-18(26-19)11-7-15-5-8-16(24-2)9-6-15/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23)
InChIKeySXGWPTSJUPXCKO-UHFFFAOYSA-N
XLogP2.34
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25377787
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25274560
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42288429
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 42458281) is N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is CCOCCCNC(=O)CCc1nnc(CCc2ccc(OC)cc2)o1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is SXGWPTSJUPXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-25-14-4-13-20-17(23)10-12-19-22-21-18(26-19)11-7-15-5-8-16(24-2)9-6-15/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23).
What are the key properties of N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 361.44 g/mol, XLogP of 2.34, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42458281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).