1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione

C16H20N2O2 — CID 43198810

IUPAC1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione
SMILESCCN(CC)C(CN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-3-17(4-2)14(13-8-6-5-7-9-13)12-18-15(19)10-11-16(18)20/h5-11,14H,3-4,12H2,1-2H3
InChIKeyNLCANWGNXFLASA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.99
Rot. Bonds6

About 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione

1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione (PubChem CID 43198810) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione
PubChem CID43198810
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione
SMILESCCN(CC)C(CN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-3-17(4-2)14(13-8-6-5-7-9-13)12-18-15(19)10-11-16(18)20/h5-11,14H,3-4,12H2,1-2H3
InChIKeyNLCANWGNXFLASA-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
CID 63120892
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1-phenylethanamine
CID 101182941
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
CID 175213976
3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione (CID 43198810) is 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione is CCN(CC)C(CN1C(=O)C=CC1=O)c1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione?
The InChIKey is NLCANWGNXFLASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17(4-2)14(13-8-6-5-7-9-13)12-18-15(19)10-11-16(18)20/h5-11,14H,3-4,12H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione?
1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione is sourced from PubChem (CID 43198810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).