N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C19H26N2O4 — CID 27682911

IUPACN-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCCCCOCCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-2-3-12-25-13-4-11-20-19(24)16-7-5-15(6-8-16)14-21-17(22)9-10-18(21)23/h5-8H,2-4,9-14H2,1H3,(H,20,24)
InChIKeyHGDQSMBVTVRDRU-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.27
Rot. Bonds10

About N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 27682911) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID27682911
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCCCCOCCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-2-3-12-25-13-4-11-20-19(24)16-7-5-15(6-8-16)14-21-17(22)9-10-18(21)23/h5-8H,2-4,9-14H2,1H3,(H,20,24)
InChIKeyHGDQSMBVTVRDRU-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920002
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 71890893
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119641489
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-(3-ethoxypropyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923977
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 27682911) is N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CCCCOCCCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is HGDQSMBVTVRDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-3-12-25-13-4-11-20-19(24)16-7-5-15(6-8-16)14-21-17(22)9-10-18(21)23/h5-8H,2-4,9-14H2,1H3,(H,20,24).
What are the key properties of N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 27682911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).