N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide

C14H21N3O3 — CID 54087237

IUPACN-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESNCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H21N3O3/c15-7-8-16-14(20)11-3-1-10(2-4-11)9-17-12(18)5-6-13(17)19/h5-6,10-11H,1-4,7-9,15H2,(H,16,20)
InChIKeyMOTHLPIZPWTDCN-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.21
Rot. Bonds5

About N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide

N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 54087237) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
PubChem CID54087237
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESNCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H21N3O3/c15-7-8-16-14(20)11-3-1-10(2-4-11)9-17-12(18)5-6-13(17)19/h5-6,10-11H,1-4,7-9,15H2,(H,16,20)
InChIKeyMOTHLPIZPWTDCN-UHFFFAOYSA-N
XLogP-0.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide (CID 54087237) is N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide is NCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is MOTHLPIZPWTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-7-8-16-14(20)11-3-1-10(2-4-11)9-17-12(18)5-6-13(17)19/h5-6,10-11H,1-4,7-9,15H2,(H,16,20).
What are the key properties of N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 54087237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).