1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H25N3O4 — CID 154768195

IUPAC1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(OCC(=O)N2CC(N3CC(C(=O)NC)CC3=O)C2)c1
InChIInChI=1S/C19H25N3O4/c1-3-13-5-4-6-16(7-13)26-12-18(24)21-10-15(11-21)22-9-14(8-17(22)23)19(25)20-2/h4-7,14-15H,3,8-12H2,1-2H3,(H,20,25)
InChIKeyPFQAVRDIQITJPL-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.43
Rot. Bonds6

About 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 154768195) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID154768195
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(OCC(=O)N2CC(N3CC(C(=O)NC)CC3=O)C2)c1
InChIInChI=1S/C19H25N3O4/c1-3-13-5-4-6-16(7-13)26-12-18(24)21-10-15(11-21)22-9-14(8-17(22)23)19(25)20-2/h4-7,14-15H,3,8-12H2,1-2H3,(H,20,25)
InChIKeyPFQAVRDIQITJPL-UHFFFAOYSA-N
XLogP0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-ethylphenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721723
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
(2S)-4-[2-(3-ethylphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945798
1-[1-(3-hydroxy-2,2-dimethylpropanoyl)azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 167982047
(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064
1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
CID 136532081
2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 119246761
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid
CID 122117109

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 154768195) is 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCc1cccc(OCC(=O)N2CC(N3CC(C(=O)NC)CC3=O)C2)c1.
What is the InChIKey of 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PFQAVRDIQITJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-13-5-4-6-16(7-13)26-12-18(24)21-10-15(11-21)22-9-14(8-17(22)23)19(25)20-2/h4-7,14-15H,3,8-12H2,1-2H3,(H,20,25).
What are the key properties of 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-ethylphenoxy)acetyl]azetidin-3-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154768195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).