N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide

C18H27N3O3 — CID 118791949

IUPACN-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC1CCC(=O)N1CCN(C)C
InChIInChI=1S/C18H27N3O3/c1-20(2)12-13-21-14(8-9-17(21)22)10-11-19-18(23)15-6-4-5-7-16(15)24-3/h4-7,14H,8-13H2,1-3H3,(H,19,23)
InChIKeyBHZDVZOOLMJQKO-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.37
Rot. Bonds8

About N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide

N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide (PubChem CID 118791949) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide
PubChem CID118791949
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC1CCC(=O)N1CCN(C)C
InChIInChI=1S/C18H27N3O3/c1-20(2)12-13-21-14(8-9-17(21)22)10-11-19-18(23)15-6-4-5-7-16(15)24-3/h4-7,14H,8-13H2,1-3H3,(H,19,23)
InChIKeyBHZDVZOOLMJQKO-UHFFFAOYSA-N
XLogP1.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
CID 125171691
2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide
CID 125172622
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72877016
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 118782972
N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 125165325
5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 118782633
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide
CID 91832374
N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97118333
(5R)-1-[2-(dimethylamino)ethyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 125163911
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide (CID 118791949) is N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC1CCC(=O)N1CCN(C)C.
What is the InChIKey of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide?
The InChIKey is BHZDVZOOLMJQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)12-13-21-14(8-9-17(21)22)10-11-19-18(23)15-6-4-5-7-16(15)24-3/h4-7,14H,8-13H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide?
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide has a molecular weight of 333.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 118791949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).