1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride

C14H24ClN3O3 — CID 75495709

IUPAC1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)N1C(=O)CC(NC(=O)C2(N)CCCCC2)C1=O.Cl
InChIInChI=1S/C14H23N3O3.ClH/c1-9(2)17-11(18)8-10(12(17)19)16-13(20)14(15)6-4-3-5-7-14;/h9-10H,3-8,15H2,1-2H3,(H,16,20);1H
InChIKeyYVAIGIYHFUMXJY-UHFFFAOYSA-N
MW317.82 g/mol
LogP0.72
Rot. Bonds3

About 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 75495709) has the molecular formula C14H24ClN3O3 and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID75495709
Molecular FormulaC14H24ClN3O3
Molecular Weight317.82 g/mol
Exact Mass317.15
IUPAC Name1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)N1C(=O)CC(NC(=O)C2(N)CCCCC2)C1=O.Cl
InChIInChI=1S/C14H23N3O3.ClH/c1-9(2)17-11(18)8-10(12(17)19)16-13(20)14(15)6-4-3-5-7-14;/h9-10H,3-8,15H2,1-2H3,(H,16,20);1H
InChIKeyYVAIGIYHFUMXJY-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 50.72
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

1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119343946
1-(3,5-dimethylphenyl)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 154737230
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 63822409
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 98212790
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 120669178
4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 122145655
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
(2R)-N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-thiophen-3-ylpropanamide
CID 98343599
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119328855

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride (CID 75495709) is 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride is CC(C)N1C(=O)CC(NC(=O)C2(N)CCCCC2)C1=O.Cl.
What is the InChIKey of 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YVAIGIYHFUMXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.ClH/c1-9(2)17-11(18)8-10(12(17)19)16-13(20)14(15)6-4-3-5-7-14;/h9-10H,3-8,15H2,1-2H3,(H,16,20);1H.
What are the key properties of 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 75495709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).