3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

C14H24N2OS — CID 65269980

IUPAC3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)C(C)(C)C(C)(C)N)s1
InChIInChI=1S/C14H24N2OS/c1-9-7-8-11(18-9)10(2)16-12(17)13(3,4)14(5,6)15/h7-8,10H,15H2,1-6H3,(H,16,17)
InChIKeyXHNRCBJGTAHIQE-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.00
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide

3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (PubChem CID 65269980) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
PubChem CID65269980
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)C(C)(C)C(C)(C)N)s1
InChIInChI=1S/C14H24N2OS/c1-9-7-8-11(18-9)10(2)16-12(17)13(3,4)14(5,6)15/h7-8,10H,15H2,1-6H3,(H,16,17)
InChIKeyXHNRCBJGTAHIQE-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 76921299
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
(2S)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61476029
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352
2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 61477645
1-(5-methylthiophen-2-yl)ethylthiourea
CID 61473975
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide (CID 65269980) is 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is Cc1ccc(C(C)NC(=O)C(C)(C)C(C)(C)N)s1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
The InChIKey is XHNRCBJGTAHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9-7-8-11(18-9)10(2)16-12(17)13(3,4)14(5,6)15/h7-8,10H,15H2,1-6H3,(H,16,17).
What are the key properties of 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide?
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide has a molecular weight of 268.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 65269980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).