2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide

C15H22N2OS — CID 43911866

IUPAC2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
SMILESCCC(NC(=S)NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-5-12(11-9-7-6-8-10-11)16-14(19)17-13(18)15(2,3)4/h6-10,12H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyJVZWTMAWKBOQQC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.17
Rot. Bonds3

About 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide

2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide (PubChem CID 43911866) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
PubChem CID43911866
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
SMILESCCC(NC(=S)NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-5-12(11-9-7-6-8-10-11)16-14(19)17-13(18)15(2,3)4/h6-10,12H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyJVZWTMAWKBOQQC-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-oxo-4-(1-phenylpropylcarbamothioylamino)but-2-enoate
CID 43911865
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
1-benzyl-3-(1-phenylpropyl)thiourea
CID 19675340
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
2-(aminomethyl)-N-(1-phenylpropyl)-2-propylpentanamide
CID 62305900
2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
CID 54835424
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63182177

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide (CID 43911866) is 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide is CCC(NC(=S)NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide?
The InChIKey is JVZWTMAWKBOQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-5-12(11-9-7-6-8-10-11)16-14(19)17-13(18)15(2,3)4/h6-10,12H,5H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide?
2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide is sourced from PubChem (CID 43911866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).