2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

C14H23NO3S — CID 46995819

IUPAC2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCOCC(=O)N(CCOC)Cc1cccs1
InChIInChI=1S/C14H23NO3S/c1-3-4-8-18-12-14(16)15(7-9-17-2)11-13-6-5-10-19-13/h5-6,10H,3-4,7-9,11-12H2,1-2H3
InChIKeyZCXDVUKQXRWLOW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.54
Rot. Bonds10

About 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46995819) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46995819
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCOCC(=O)N(CCOC)Cc1cccs1
InChIInChI=1S/C14H23NO3S/c1-3-4-8-18-12-14(16)15(7-9-17-2)11-13-6-5-10-19-13/h5-6,10H,3-4,7-9,11-12H2,1-2H3
InChIKeyZCXDVUKQXRWLOW-UHFFFAOYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
CID 119189224
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 46995819) is 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is CCCCOCC(=O)N(CCOC)Cc1cccs1.
What is the InChIKey of 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZCXDVUKQXRWLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-4-8-18-12-14(16)15(7-9-17-2)11-13-6-5-10-19-13/h5-6,10H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 2.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46995819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).