1,3-diethyl-1,3-diphenylselenourea

C17H20N2Se — CID 134917239

IUPAC1,3-diethyl-1,3-diphenylselenourea
SMILESCCN(C(=[Se])N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2Se/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyKPZPBZUXCZWRNW-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.30
Rot. Bonds6

About 1,3-diethyl-1,3-diphenylselenourea

1,3-diethyl-1,3-diphenylselenourea (PubChem CID 134917239) has the molecular formula C17H20N2Se and a molecular weight of 331.32 g/mol. Its IUPAC name is 1,3-diethyl-1,3-diphenylselenourea.

Molecular Properties

Compound Name1,3-diethyl-1,3-diphenylselenourea
PubChem CID134917239
Molecular FormulaC17H20N2Se
Molecular Weight331.32 g/mol
Exact Mass332.08
IUPAC Name1,3-diethyl-1,3-diphenylselenourea
SMILESCCN(C(=[Se])N(CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2Se/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyKPZPBZUXCZWRNW-UHFFFAOYSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-[ethyl(phenyl)carbamothioyl]sulfanylethyl N-ethyl-N-phenylcarbamodithioate
CID 102275422
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
1-ethyl-3-imino-1-phenylurea
CID 70142844
propyl N-ethyl-N-phenylcarbamodithioate
CID 71384750
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3-diphenylselenourea?
The IUPAC name of 1,3-diethyl-1,3-diphenylselenourea (CID 134917239) is 1,3-diethyl-1,3-diphenylselenourea.
What is the SMILES notation for 1,3-diethyl-1,3-diphenylselenourea?
The canonical SMILES for 1,3-diethyl-1,3-diphenylselenourea is CCN(C(=[Se])N(CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diethyl-1,3-diphenylselenourea?
The InChIKey is KPZPBZUXCZWRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2Se/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-1,3-diphenylselenourea?
1,3-diethyl-1,3-diphenylselenourea has a molecular weight of 331.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3-diphenylselenourea is sourced from PubChem (CID 134917239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).