2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C19H30N2O3S — CID 60568322

IUPAC2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNC(c1ccccc1)C(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H30N2O3S/c1-5-21(16-11-12-25(23,24)14-16)17(22)13-20-18(19(2,3)4)15-9-7-6-8-10-15/h6-10,16,18,20H,5,11-14H2,1-4H3
InChIKeyPUCRYSKYWNIHCQ-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.40
Rot. Bonds6

About 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 60568322) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID60568322
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNC(c1ccccc1)C(C)(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H30N2O3S/c1-5-21(16-11-12-25(23,24)14-16)17(22)13-20-18(19(2,3)4)15-9-7-6-8-10-15/h6-10,16,18,20H,5,11-14H2,1-4H3
InChIKeyPUCRYSKYWNIHCQ-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109003538
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 55446349
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]amino]benzoate
CID 109003544
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-phenylsulfanylpropanamide
CID 94814769
2-chloro-N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]benzamide
CID 112994270
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108945230
2-(2-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78760290
2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78821733
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 112994246
2-(2-chloro-6-fluoroanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 99838006
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520981

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 60568322) is 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CNC(c1ccccc1)C(C)(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is PUCRYSKYWNIHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-21(16-11-12-25(23,24)14-16)17(22)13-20-18(19(2,3)4)15-9-7-6-8-10-15/h6-10,16,18,20H,5,11-14H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 366.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 60568322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).