N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C23H33N3O4 — CID 3649649

IUPACN-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(CCCOCC)CC(=O)Nc2ccon2)cc1
InChIInChI=1S/C23H33N3O4/c1-3-5-6-7-9-19-10-12-20(13-11-19)23(28)26(15-8-16-29-4-2)18-22(27)24-21-14-17-30-25-21/h10-14,17H,3-9,15-16,18H2,1-2H3,(H,24,25,27)
InChIKeyOMRPDQBQCKDZPF-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.30
Rot. Bonds14

About N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 3649649) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID3649649
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(CCCOCC)CC(=O)Nc2ccon2)cc1
InChIInChI=1S/C23H33N3O4/c1-3-5-6-7-9-19-10-12-20(13-11-19)23(28)26(15-8-16-29-4-2)18-22(27)24-21-14-17-30-25-21/h10-14,17H,3-9,15-16,18H2,1-2H3,(H,24,25,27)
InChIKeyOMRPDQBQCKDZPF-UHFFFAOYSA-N
XLogP4.30
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
4-hexyl-N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087378
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-phenylbenzamide
CID 4151736
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771623
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 3568028
4-chloro-N-(3-ethoxypropyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3431758
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 3649649) is N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is CCCCCCc1ccc(C(=O)N(CCCOCC)CC(=O)Nc2ccon2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is OMRPDQBQCKDZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-3-5-6-7-9-19-10-12-20(13-11-19)23(28)26(15-8-16-29-4-2)18-22(27)24-21-14-17-30-25-21/h10-14,17H,3-9,15-16,18H2,1-2H3,(H,24,25,27).
What are the key properties of N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 415.53 g/mol, XLogP of 4.30, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 3649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).