N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide

C16H28N2OS — CID 78963907

IUPACN-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NCC(C)(C)c1cccs1
InChIInChI=1S/C16H28N2OS/c1-12(2)8-9-17-15(19)13(3)18-11-16(4,5)14-7-6-10-20-14/h6-7,10,12-13,18H,8-9,11H2,1-5H3,(H,17,19)
InChIKeyVQGIXKGSUSKFJY-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.17
Rot. Bonds8

About N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide

N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide (PubChem CID 78963907) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
PubChem CID78963907
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NCC(C)(C)c1cccs1
InChIInChI=1S/C16H28N2OS/c1-12(2)8-9-17-15(19)13(3)18-11-16(4,5)14-7-6-10-20-14/h6-7,10,12-13,18H,8-9,11H2,1-5H3,(H,17,19)
InChIKeyVQGIXKGSUSKFJY-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
CID 78963633
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
CID 78963148
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
CID 103257602
3-methoxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanoic acid
CID 103257586
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 80526828

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide (CID 78963907) is N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide is CC(C)CCNC(=O)C(C)NCC(C)(C)c1cccs1.
What is the InChIKey of N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide?
The InChIKey is VQGIXKGSUSKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(2)8-9-17-15(19)13(3)18-11-16(4,5)14-7-6-10-20-14/h6-7,10,12-13,18H,8-9,11H2,1-5H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide?
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide has a molecular weight of 296.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide is sourced from PubChem (CID 78963907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).