N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H27N3O3 — CID 4882259

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)cc1
InChIInChI=1S/C22H27N3O3/c1-24(2)20(16-8-12-19(28-3)13-9-16)15-23-22(27)17-6-10-18(11-7-17)25-14-4-5-21(25)26/h6-13,20H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKeyLPNBLPPQZAVMTN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 4882259) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID4882259
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)cc1
InChIInChI=1S/C22H27N3O3/c1-24(2)20(16-8-12-19(28-3)13-9-16)15-23-22(27)17-6-10-18(11-7-17)25-14-4-5-21(25)26/h6-13,20H,4-5,14-15H2,1-3H3,(H,23,27)
InChIKeyLPNBLPPQZAVMTN-UHFFFAOYSA-N
XLogP2.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 4882259) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(C(CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LPNBLPPQZAVMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(2)20(16-8-12-19(28-3)13-9-16)15-23-22(27)17-6-10-18(11-7-17)25-14-4-5-21(25)26/h6-13,20H,4-5,14-15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4882259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).