N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C17H21N3O4 — CID 42771623

IUPACN-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCOCCCN(CC(=O)Nc1ccon1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21N3O4/c1-13-4-6-14(7-5-13)17(22)20(9-3-10-23-2)12-16(21)18-15-8-11-24-19-15/h4-8,11H,3,9-10,12H2,1-2H3,(H,18,19,21)
InChIKeyPYIABCCEWWFVKR-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.10
Rot. Bonds8

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

N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 42771623) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID42771623
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCOCCCN(CC(=O)Nc1ccon1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21N3O4/c1-13-4-6-14(7-5-13)17(22)20(9-3-10-23-2)12-16(21)18-15-8-11-24-19-15/h4-8,11H,3,9-10,12H2,1-2H3,(H,18,19,21)
InChIKeyPYIABCCEWWFVKR-UHFFFAOYSA-N
XLogP2.10
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.10
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

N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-phenylbenzamide
CID 4151736
4-methyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769081
methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 4017704
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3649649
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4205625
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 42771623) is N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is COCCCN(CC(=O)Nc1ccon1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is PYIABCCEWWFVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-13-4-6-14(7-5-13)17(22)20(9-3-10-23-2)12-16(21)18-15-8-11-24-19-15/h4-8,11H,3,9-10,12H2,1-2H3,(H,18,19,21).
What are the key properties of N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 42771623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).