N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide

C13H22N2OS — CID 43226431

IUPACN-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
SMILESCCNC(=O)C(C)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-14-13(16)10(4)15-12(9(2)3)11-7-6-8-17-11/h6-10,12,15H,5H2,1-4H3,(H,14,16)
InChIKeyZQKAENBECDNVAK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide

N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide (PubChem CID 43226431) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
PubChem CID43226431
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
SMILESCCNC(=O)C(C)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-14-13(16)10(4)15-12(9(2)3)11-7-6-8-17-11/h6-10,12,15H,5H2,1-4H3,(H,14,16)
InChIKeyZQKAENBECDNVAK-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
CID 43787656
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide (CID 43226431) is N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide is CCNC(=O)C(C)NC(c1cccs1)C(C)C.
What is the InChIKey of N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
The InChIKey is ZQKAENBECDNVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-14-13(16)10(4)15-12(9(2)3)11-7-6-8-17-11/h6-10,12,15H,5H2,1-4H3,(H,14,16).
What are the key properties of N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide is sourced from PubChem (CID 43226431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).