N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide

C16H29N3O3 — CID 145040760

IUPACN-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide
SMILESCN(C)CCN(C)C(=O)CCCCCN1C(=O)C=CC1(C)O
InChIInChI=1S/C16H29N3O3/c1-16(22)10-9-15(21)19(16)11-7-5-6-8-14(20)18(4)13-12-17(2)3/h9-10,22H,5-8,11-13H2,1-4H3
InChIKeyMIWMSPGOJRIILX-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.67
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide

N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide (PubChem CID 145040760) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide
PubChem CID145040760
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide
SMILESCN(C)CCN(C)C(=O)CCCCCN1C(=O)C=CC1(C)O
InChIInChI=1S/C16H29N3O3/c1-16(22)10-9-15(21)19(16)11-7-5-6-8-14(20)18(4)13-12-17(2)3/h9-10,22H,5-8,11-13H2,1-4H3
InChIKeyMIWMSPGOJRIILX-UHFFFAOYSA-N
XLogP0.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyl-5-hydroxy-5-methylpyrrol-2-one
CID 15275373
5-Hydroxy-5-methyl-1-(6-oxoheptyl)pyrrol-2-one
CID 143584939
1-Hept-6-enyl-5-hydroxy-5-methylpyrrol-2-one
CID 154691411

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide (CID 145040760) is N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide is CN(C)CCN(C)C(=O)CCCCCN1C(=O)C=CC1(C)O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide?
The InChIKey is MIWMSPGOJRIILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(22)10-9-15(21)19(16)11-7-5-6-8-14(20)18(4)13-12-17(2)3/h9-10,22H,5-8,11-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide?
N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide has a molecular weight of 311.43 g/mol, XLogP of 0.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(2-hydroxy-2-methyl-5-oxopyrrol-1-yl)-N-methylhexanamide is sourced from PubChem (CID 145040760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).