N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide

C14H24N2OS — CID 113221911

IUPACN-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1sccc1C
InChIInChI=1S/C14H24N2OS/c1-6-14(4,5)16-13(17)11(3)15-9-12-10(2)7-8-18-12/h7-8,11,15H,6,9H2,1-5H3,(H,16,17)
InChIKeyCRUJAYGEJRQGTD-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.84
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide

N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 113221911) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
PubChem CID113221911
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCc1sccc1C
InChIInChI=1S/C14H24N2OS/c1-6-14(4,5)16-13(17)11(3)15-9-12-10(2)7-8-18-12/h7-8,11,15H,6,9H2,1-5H3,(H,16,17)
InChIKeyCRUJAYGEJRQGTD-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 78983885
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
CID 114699824
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380948
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pentan-3-amine;hydrochloride
CID 115616073
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112668993
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide (CID 113221911) is N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide is CCC(C)(C)NC(=O)C(C)NCc1sccc1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is CRUJAYGEJRQGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-6-14(4,5)16-13(17)11(3)15-9-12-10(2)7-8-18-12/h7-8,11,15H,6,9H2,1-5H3,(H,16,17).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide?
N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 268.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 113221911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).