2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide

C16H26N2OS — CID 65241939

IUPAC2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CC1(NC)CCCCC1)c1cccs1
InChIInChI=1S/C16H26N2OS/c1-3-13(14-8-7-11-20-14)18-15(19)12-16(17-2)9-5-4-6-10-16/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyLZGIDSQAVRXMFD-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.63
Rot. Bonds6

About 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide

2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide (PubChem CID 65241939) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
PubChem CID65241939
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CC1(NC)CCCCC1)c1cccs1
InChIInChI=1S/C16H26N2OS/c1-3-13(14-8-7-11-20-14)18-15(19)12-16(17-2)9-5-4-6-10-16/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyLZGIDSQAVRXMFD-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
CID 65242049
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-(1-aminocyclohexyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 64684580
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
CID 81086681
1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
CID 131949619
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide (CID 65241939) is 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide is CCC(NC(=O)CC1(NC)CCCCC1)c1cccs1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide?
The InChIKey is LZGIDSQAVRXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-13(14-8-7-11-20-14)18-15(19)12-16(17-2)9-5-4-6-10-16/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide?
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 65241939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).