N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H29N3O2 — CID 3239271

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(C)c1
InChIInChI=1S/C23H29N3O2/c1-3-25(21-8-4-7-18(2)17-21)15-6-14-24-23(28)19-10-12-20(13-11-19)26-16-5-9-22(26)27/h4,7-8,10-13,17H,3,5-6,9,14-16H2,1-2H3,(H,24,28)
InChIKeyHWALSALXGBSYKH-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.77
Rot. Bonds8

About N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3239271) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3239271
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(C)c1
InChIInChI=1S/C23H29N3O2/c1-3-25(21-8-4-7-18(2)17-21)15-6-14-24-23(28)19-10-12-20(13-11-19)26-16-5-9-22(26)27/h4,7-8,10-13,17H,3,5-6,9,14-16H2,1-2H3,(H,24,28)
InChIKeyHWALSALXGBSYKH-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 3239271) is N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HWALSALXGBSYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(21-8-4-7-18(2)17-21)15-6-14-24-23(28)19-10-12-20(13-11-19)26-16-5-9-22(26)27/h4,7-8,10-13,17H,3,5-6,9,14-16H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3239271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).