3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide

C15H26N2OS — CID 61452589

IUPAC3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1cccs1)C(=O)CCNC(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-12(2)17(11-13-7-6-10-19-13)14(18)8-9-16-15(3,4)5/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyJMUGNLANJWTORP-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.26
Rot. Bonds6

About 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide

3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 61452589) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID61452589
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1cccs1)C(=O)CCNC(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-12(2)17(11-13-7-6-10-19-13)14(18)8-9-16-15(3,4)5/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyJMUGNLANJWTORP-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119723936
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
2-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pentanamide
CID 54946833

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide (CID 61452589) is 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide is CC(C)N(Cc1cccs1)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JMUGNLANJWTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(2)17(11-13-7-6-10-19-13)14(18)8-9-16-15(3,4)5/h6-7,10,12,16H,8-9,11H2,1-5H3.
What are the key properties of 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide?
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 282.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 61452589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).