(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

C19H29N3O2 — CID 164634851

IUPAC(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESCc1cccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C
InChIInChI=1S/C19H29N3O2/c1-15-4-3-5-17(16(15)2)13-20-18-12-19(23)22(14-18)7-6-21-8-10-24-11-9-21/h3-5,18,20H,6-14H2,1-2H3/t18-/m0/s1
InChIKeyWHPZZMLDIVSCKP-SFHVURJKSA-N
MW331.46 g/mol
LogP1.33
Rot. Bonds6

About (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 164634851) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID164634851
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESCc1cccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C
InChIInChI=1S/C19H29N3O2/c1-15-4-3-5-17(16(15)2)13-20-18-12-19(23)22(14-18)7-6-21-8-10-24-11-9-21/h3-5,18,20H,6-14H2,1-2H3/t18-/m0/s1
InChIKeyWHPZZMLDIVSCKP-SFHVURJKSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 167932118
(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 124612429
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809922
3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 132972010
4-[[2-(5-methylfuran-2-yl)phenyl]methylamino]-1-propylpyrrolidin-2-one
CID 131947006
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52528755
1-[(2,3-dimethylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709083
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (CID 164634851) is (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is Cc1cccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C.
What is the InChIKey of (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is WHPZZMLDIVSCKP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-4-3-5-17(16(15)2)13-20-18-12-19(23)22(14-18)7-6-21-8-10-24-11-9-21/h3-5,18,20H,6-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 164634851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).