N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide

C15H26N2O2S — CID 60939568

IUPACN-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
SMILESCOCCN(Cc1cccs1)C(=O)CCCNC(C)C
InChIInChI=1S/C15H26N2O2S/c1-13(2)16-8-4-7-15(18)17(9-10-19-3)12-14-6-5-11-20-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyZCIQBSJMCUINRV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.50
Rot. Bonds10

About N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide

N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 60939568) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID60939568
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
SMILESCOCCN(Cc1cccs1)C(=O)CCCNC(C)C
InChIInChI=1S/C15H26N2O2S/c1-13(2)16-8-4-7-15(18)17(9-10-19-3)12-14-6-5-11-20-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyZCIQBSJMCUINRV-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
CID 173199914
N-(2-methoxyethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 17398213
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide (CID 60939568) is N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide is COCCN(Cc1cccs1)C(=O)CCCNC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is ZCIQBSJMCUINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-13(2)16-8-4-7-15(18)17(9-10-19-3)12-14-6-5-11-20-14/h5-6,11,13,16H,4,7-10,12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide?
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 298.45 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 60939568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).