2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide

C13H20N2O2S — CID 115286057

IUPAC2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NCCCOCC1CC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c14-12(11-3-1-8-18-11)13(16)15-6-2-7-17-9-10-4-5-10/h1,3,8,10,12H,2,4-7,9,14H2,(H,15,16)
InChIKeyXMWVKRLDZFOWHW-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.68
Rot. Bonds8

About 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide

2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide (PubChem CID 115286057) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
PubChem CID115286057
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NCCCOCC1CC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c14-12(11-3-1-8-18-11)13(16)15-6-2-7-17-9-10-4-5-10/h1,3,8,10,12H,2,4-7,9,14H2,(H,15,16)
InChIKeyXMWVKRLDZFOWHW-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 113487602
2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
CID 106161199
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012715
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide (CID 115286057) is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide is NC(C(=O)NCCCOCC1CC1)c1cccs1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is XMWVKRLDZFOWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-12(11-3-1-8-18-11)13(16)15-6-2-7-17-9-10-4-5-10/h1,3,8,10,12H,2,4-7,9,14H2,(H,15,16).
What are the key properties of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide?
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).