N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C20H27N3O3 — CID 119590373

IUPACN-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESNCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C1CCCCC1
InChIInChI=1S/C20H27N3O3/c21-12-17(15-4-2-1-3-5-15)22-20(26)16-8-6-14(7-9-16)13-23-18(24)10-11-19(23)25/h6-9,15,17H,1-5,10-13,21H2,(H,22,26)
InChIKeyRTFBXEWNSLJQKB-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.97
Rot. Bonds6

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

N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 119590373) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID119590373
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESNCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C1CCCCC1
InChIInChI=1S/C20H27N3O3/c21-12-17(15-4-2-1-3-5-15)22-20(26)16-8-6-14(7-9-16)13-23-18(24)10-11-19(23)25/h6-9,15,17H,1-5,10-13,21H2,(H,22,26)
InChIKeyRTFBXEWNSLJQKB-UHFFFAOYSA-N
XLogP1.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 119590373) is N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is NCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is RTFBXEWNSLJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c21-12-17(15-4-2-1-3-5-15)22-20(26)16-8-6-14(7-9-16)13-23-18(24)10-11-19(23)25/h6-9,15,17H,1-5,10-13,21H2,(H,22,26).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 119590373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).