N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide

C15H26N2OS — CID 61473794

IUPACN-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)NCCC(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-10(2)8-9-16-15(18)13(5)17-12(4)14-7-6-11(3)19-14/h6-7,10,12-13,17H,8-9H2,1-5H3,(H,16,18)
InChIKeyNNBSEVTZEQJCFS-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.26
Rot. Bonds7

About N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide

N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide (PubChem CID 61473794) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
PubChem CID61473794
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)NCCC(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-10(2)8-9-16-15(18)13(5)17-12(4)14-7-6-11(3)19-14/h6-7,10,12-13,17H,8-9H2,1-5H3,(H,16,18)
InChIKeyNNBSEVTZEQJCFS-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473838
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
2-hydroxy-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 107838979
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 61469359
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 79391111
4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
CID 115722580
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 81353670

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide (CID 61473794) is N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide is Cc1ccc(C(C)NC(C)C(=O)NCCC(C)C)s1.
What is the InChIKey of N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
The InChIKey is NNBSEVTZEQJCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-10(2)8-9-16-15(18)13(5)17-12(4)14-7-6-11(3)19-14/h6-7,10,12-13,17H,8-9H2,1-5H3,(H,16,18).
What are the key properties of N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide?
N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide has a molecular weight of 282.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 61473794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).