3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide

C19H30N4O2 — CID 71992527

IUPAC3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2ccccc2CC(=O)N(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-5-22(6-2)16-11-12-23(14-16)19(25)20-17-10-8-7-9-15(17)13-18(24)21(3)4/h7-10,16H,5-6,11-14H2,1-4H3,(H,20,25)
InChIKeyGYKBZDKNCWXXHN-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.27
Rot. Bonds6

About 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide

3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 71992527) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID71992527
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2ccccc2CC(=O)N(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-5-22(6-2)16-11-12-23(14-16)19(25)20-17-10-8-7-9-15(17)13-18(24)21(3)4/h7-10,16H,5-6,11-14H2,1-4H3,(H,20,25)
InChIKeyGYKBZDKNCWXXHN-UHFFFAOYSA-N
XLogP2.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 156607502
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577965
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71886567
3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
CID 72844192
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95635900
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 86794429
(3S)-3-(dimethylamino)-N-[2-(2-methylprop-2-enoxy)phenyl]pyrrolidine-1-carboxamide
CID 97438370

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide (CID 71992527) is 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)Nc2ccccc2CC(=O)N(C)C)C1.
What is the InChIKey of 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is GYKBZDKNCWXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-22(6-2)16-11-12-23(14-16)19(25)20-17-10-8-7-9-15(17)13-18(24)21(3)4/h7-10,16H,5-6,11-14H2,1-4H3,(H,20,25).
What are the key properties of 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71992527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).