N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride

C19H26ClN3O3 — CID 119610634

IUPACN-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H25N3O3.ClH/c20-11-15-3-1-2-4-16(15)21-19(25)14-7-5-13(6-8-14)12-22-17(23)9-10-18(22)24;/h5-8,15-16H,1-4,9-12,20H2,(H,21,25);1H
InChIKeyXXDXQVOMNJTEQN-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride (PubChem CID 119610634) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
PubChem CID119610634
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H25N3O3.ClH/c20-11-15-3-1-2-4-16(15)21-19(25)14-7-5-13(6-8-14)12-22-17(23)9-10-18(22)24;/h5-8,15-16H,1-4,9-12,20H2,(H,21,25);1H
InChIKeyXXDXQVOMNJTEQN-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119602599
N-[2-(aminomethyl)cyclohexyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119611457
N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119612316
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119609641
N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119590373
N-[2-(aminomethyl)cyclohexyl]-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119610012
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
CID 119602533

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride (CID 119610634) is N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is XXDXQVOMNJTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c20-11-15-3-1-2-4-16(15)21-19(25)14-7-5-13(6-8-14)12-22-17(23)9-10-18(22)24;/h5-8,15-16H,1-4,9-12,20H2,(H,21,25);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).