2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide

C15H22N2O2S — CID 4943273

IUPAC2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
SMILESCCCOc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-5-10-19-12-8-6-11(7-9-12)16-14(20)17-13(18)15(2,3)4/h6-9H,5,10H2,1-4H3,(H2,16,17,18,20)
InChIKeyFKCSYFFHFLUSHH-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.33
Rot. Bonds4

About 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide

2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide (PubChem CID 4943273) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
PubChem CID4943273
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
SMILESCCCOc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-5-10-19-12-8-6-11(7-9-12)16-14(20)17-13(18)15(2,3)4/h6-9H,5,10H2,1-4H3,(H2,16,17,18,20)
InChIKeyFKCSYFFHFLUSHH-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-heptoxyphenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 4951646
2,2-dimethyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]propanamide
CID 4950054
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
1-propan-2-yl-3-(4-propoxyphenyl)thiourea
CID 113345148
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225
N-ethyl-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17234514
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 4659447
2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
CID 4943277
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
3,4,5-trimethoxy-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943199

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide (CID 4943273) is 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide is CCCOc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide?
The InChIKey is FKCSYFFHFLUSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-10-19-12-8-6-11(7-9-12)16-14(20)17-13(18)15(2,3)4/h6-9H,5,10H2,1-4H3,(H2,16,17,18,20).
What are the key properties of 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide?
2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide has a molecular weight of 294.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 4943273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).