3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide

C15H24N2OS — CID 63695799

IUPAC3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
SMILESCCOCCN(CC)C(CC(N)=S)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-17(10-11-18-4-2)14(12-15(16)19)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,16,19)
InChIKeyBGIFOCAEAUNTMT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.76
Rot. Bonds9

About 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide

3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide (PubChem CID 63695799) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
PubChem CID63695799
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
SMILESCCOCCN(CC)C(CC(N)=S)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-17(10-11-18-4-2)14(12-15(16)19)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,16,19)
InChIKeyBGIFOCAEAUNTMT-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide 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

3-[ethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanethioamide
CID 55117640
N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 82940241
3-[butan-2-yl(2-methoxyethyl)amino]-3-phenylpropanethioamide
CID 62780127
3-[2-methoxyethyl(pentan-3-yl)amino]-3-phenylpropanethioamide
CID 62780451
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide (CID 63695799) is 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide is CCOCCN(CC)C(CC(N)=S)c1ccccc1.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide?
The InChIKey is BGIFOCAEAUNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-17(10-11-18-4-2)14(12-15(16)19)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,16,19).
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide?
3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide has a molecular weight of 280.44 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide is sourced from PubChem (CID 63695799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).