N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide

C15H26N2OS — CID 61473838

IUPACN-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)c1ccc(C)s1
InChIInChI=1S/C15H26N2OS/c1-7-15(5,6)17-14(18)12(4)16-11(3)13-9-8-10(2)19-13/h8-9,11-12,16H,7H2,1-6H3,(H,17,18)
InChIKeyDMOOZWSFSHZKNA-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.40
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide

N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide (PubChem CID 61473838) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
PubChem CID61473838
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)c1ccc(C)s1
InChIInChI=1S/C15H26N2OS/c1-7-15(5,6)17-14(18)12(4)16-11(3)13-9-8-10(2)19-13/h8-9,11-12,16H,7H2,1-6H3,(H,17,18)
InChIKeyDMOOZWSFSHZKNA-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473794
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81406486
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112811643
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352
N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide (CID 61473838) is N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide is CCC(C)(C)NC(=O)C(C)NC(C)c1ccc(C)s1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
The InChIKey is DMOOZWSFSHZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-7-15(5,6)17-14(18)12(4)16-11(3)13-9-8-10(2)19-13/h8-9,11-12,16H,7H2,1-6H3,(H,17,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide has a molecular weight of 282.45 g/mol, XLogP of 3.40, 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-[1-(5-methylthiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 61473838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).