(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C19H29N3O3 — CID 94143242

IUPAC(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)c1
InChIInChI=1S/C19H29N3O3/c1-4-21(5-2)13-15-7-6-8-17(11-15)20-19(24)16-12-18(23)22(14-16)9-10-25-3/h6-8,11,16H,4-5,9-10,12-14H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyHPYIRBLJZVDVNY-INIZCTEOSA-N
MW347.46 g/mol
LogP1.96
Rot. Bonds9

About (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94143242) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94143242
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)c1
InChIInChI=1S/C19H29N3O3/c1-4-21(5-2)13-15-7-6-8-17(11-15)20-19(24)16-12-18(23)22(14-16)9-10-25-3/h6-8,11,16H,4-5,9-10,12-14H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyHPYIRBLJZVDVNY-INIZCTEOSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143241
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55853603
N-(3-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182587
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
1-(2-methoxyethyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 136834843
1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108741159
N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805559
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 94143242) is (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)c1.
What is the InChIKey of (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HPYIRBLJZVDVNY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-21(5-2)13-15-7-6-8-17(11-15)20-19(24)16-12-18(23)22(14-16)9-10-25-3/h6-8,11,16H,4-5,9-10,12-14H2,1-3H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94143242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).