(E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide

C17H18N2Se — CID 11267471

IUPAC(E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide
SMILESCN(C)/C=C/C(=[Se])N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2Se/c1-18(2)14-13-17(20)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+
InChIKeyDVIJGZFIXARDHZ-BUHFOSPRSA-N
MW329.31 g/mol
LogP3.20
Rot. Bonds5

About (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide

(E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide (PubChem CID 11267471) has the molecular formula C17H18N2Se and a molecular weight of 329.31 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide
PubChem CID11267471
Molecular FormulaC17H18N2Se
Molecular Weight329.31 g/mol
Exact Mass330.06
IUPAC Name(E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide
SMILESCN(C)/C=C/C(=[Se])N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2Se/c1-18(2)14-13-17(20)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+
InChIKeyDVIJGZFIXARDHZ-BUHFOSPRSA-N
XLogP3.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.20
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

(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
1,5-bis(N-methylanilino)penta-1,4-dien-3-one
CID 3775115
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
(1E,6E)-1,7-bis(dimethylamino)-4-methyl-4-phenylhepta-1,6-diene-3,5-dione
CID 58704723
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
N,N-dimethylaniline;methanol
CID 143205399
potassium N,N-diphenylcarbamodithioate
CID 23672385
N,N-dimethylaniline
CID 70392672
(E)-5-(dimethylamino)-2,2-dimethyl-1-phenylpent-4-ene-1,3-dione
CID 70796761
3-(dimethylamino)-N,N-bis(4-methoxyphenyl)prop-2-enethioamide
CID 51682775
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide?
The IUPAC name of (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide (CID 11267471) is (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide.
What is the SMILES notation for (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide?
The canonical SMILES for (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide is CN(C)/C=C/C(=[Se])N(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide?
The InChIKey is DVIJGZFIXARDHZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H18N2Se/c1-18(2)14-13-17(20)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+.
What are the key properties of (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide?
(E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide has a molecular weight of 329.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N,N-diphenylprop-2-eneselenoamide is sourced from PubChem (CID 11267471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).