N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H29N3O2 — CID 3237863

IUPACN-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-13-21(2)14-6-12-20-19(24)16-8-10-17(11-9-16)22-15-5-7-18(22)23/h8-11H,3-7,12-15H2,1-2H3,(H,20,24)
InChIKeyMHZYMSSNFBAKTO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.67
Rot. Bonds9

About N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3237863) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3237863
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-13-21(2)14-6-12-20-19(24)16-8-10-17(11-9-16)22-15-5-7-18(22)23/h8-11H,3-7,12-15H2,1-2H3,(H,20,24)
InChIKeyMHZYMSSNFBAKTO-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.67
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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Related Compounds

Procainamide
CID 4913
N-Acetylprocainamide
CID 4342
Procainamide Hydrochloride
CID 66068
Balicatib
CID 10201696
Acecainide Hydrochloride
CID 71417
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
4-amino-N-benzylbenzamide
CID 577832
Sematilide
CID 58505
Cpi 1189
CID 151118
SK-7041
CID 6918714
SK-7068
CID 9799221

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 3237863) is N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MHZYMSSNFBAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-13-21(2)14-6-12-20-19(24)16-8-10-17(11-9-16)22-15-5-7-18(22)23/h8-11H,3-7,12-15H2,1-2H3,(H,20,24).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3237863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).