7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide

C18H27N3O2 — CID 119776437

IUPAC7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
SMILESCN(C(=O)CCCCCCN)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H27N3O2/c1-20(17(22)11-7-2-3-8-13-19)16-12-14-21(18(16)23)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14,19H2,1H3
InChIKeyVMGOBWYXWGOKDI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.16
Rot. Bonds8

About 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide

7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide (PubChem CID 119776437) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
PubChem CID119776437
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
SMILESCN(C(=O)CCCCCCN)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H27N3O2/c1-20(17(22)11-7-2-3-8-13-19)16-12-14-21(18(16)23)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14,19H2,1H3
InChIKeyVMGOBWYXWGOKDI-UHFFFAOYSA-N
XLogP2.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 86936136
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119776472

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide?
The IUPAC name of 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide (CID 119776437) is 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide is CN(C(=O)CCCCCCN)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide?
The InChIKey is VMGOBWYXWGOKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(17(22)11-7-2-3-8-13-19)16-12-14-21(18(16)23)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14,19H2,1H3.
What are the key properties of 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide?
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide has a molecular weight of 317.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide is sourced from PubChem (CID 119776437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).