N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide

C15H25N3O3S — CID 3571002

IUPACN-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
SMILESCCOCCCN(CC(=O)Nc1nccs1)C(=O)CC(C)C
InChIInChI=1S/C15H25N3O3S/c1-4-21-8-5-7-18(14(20)10-12(2)3)11-13(19)17-15-16-6-9-22-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,16,17,19)
InChIKeyREAPFWRVTWNLAV-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.38
Rot. Bonds10

About N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide

N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide (PubChem CID 3571002) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
PubChem CID3571002
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
SMILESCCOCCCN(CC(=O)Nc1nccs1)C(=O)CC(C)C
InChIInChI=1S/C15H25N3O3S/c1-4-21-8-5-7-18(14(20)10-12(2)3)11-13(19)17-15-16-6-9-22-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,16,17,19)
InChIKeyREAPFWRVTWNLAV-UHFFFAOYSA-N
XLogP2.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide (CID 3571002) is N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide is CCOCCCN(CC(=O)Nc1nccs1)C(=O)CC(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
The InChIKey is REAPFWRVTWNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-4-21-8-5-7-18(14(20)10-12(2)3)11-13(19)17-15-16-6-9-22-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,16,17,19).
What are the key properties of N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide has a molecular weight of 327.45 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 3571002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).