N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H25N3O3S — CID 35362291

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(C)csc1=O
InChIInChI=1S/C15H25N3O3S/c1-6-17(9-12(19)16-15(3,4)5)13(20)7-8-18-11(2)10-22-14(18)21/h10H,6-9H2,1-5H3,(H,16,19)
InChIKeyLAGFGCMTNLMPNX-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.37
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 35362291) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID35362291
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(C)csc1=O
InChIInChI=1S/C15H25N3O3S/c1-6-17(9-12(19)16-15(3,4)5)13(20)7-8-18-11(2)10-22-14(18)21/h10H,6-9H2,1-5H3,(H,16,19)
InChIKeyLAGFGCMTNLMPNX-UHFFFAOYSA-N
XLogP1.37
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 35362291) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is CCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(C)csc1=O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is LAGFGCMTNLMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-6-17(9-12(19)16-15(3,4)5)13(20)7-8-18-11(2)10-22-14(18)21/h10H,6-9H2,1-5H3,(H,16,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 327.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 35362291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).