N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide

C21H39N3O3 — CID 89097089

IUPACN-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide
SMILESCCC(CC(C)(CC(C)(C)C=O)C(=O)NCCCN(C)C)N1CCCC1=O
InChIInChI=1S/C21H39N3O3/c1-7-17(24-13-8-10-18(24)26)14-21(4,15-20(2,3)16-25)19(27)22-11-9-12-23(5)6/h16-17H,7-15H2,1-6H3,(H,22,27)
InChIKeyOVORQUGXCHYTGW-UHFFFAOYSA-N
MW381.56 g/mol
LogP2.47
Rot. Bonds12

About N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide

N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide (PubChem CID 89097089) has the molecular formula C21H39N3O3 and a molecular weight of 381.56 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide
PubChem CID89097089
Molecular FormulaC21H39N3O3
Molecular Weight381.56 g/mol
Exact Mass381.30
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide
SMILESCCC(CC(C)(CC(C)(C)C=O)C(=O)NCCCN(C)C)N1CCCC1=O
InChIInChI=1S/C21H39N3O3/c1-7-17(24-13-8-10-18(24)26)14-21(4,15-20(2,3)16-25)19(27)22-11-9-12-23(5)6/h16-17H,7-15H2,1-6H3,(H,22,27)
InChIKeyOVORQUGXCHYTGW-UHFFFAOYSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide
CID 134922712
N-[14-(2,2-dimethylbutanoylamino)tetradecyl]-2,2-dimethyl-6-(2-oxopyrrolidin-1-yl)heptanamide
CID 22084499
N-[14-(2,2-dimethylpropanoylamino)tetradecyl]-2,2-dimethyl-6-(2-oxopyrrolidin-1-yl)heptanamide
CID 22084500
3-[[2,2-Dimethyl-6-(2-oxopyrrolidin-1-yl)heptanoyl]amino]propyl-[6-[3-(2,2-dimethylpropanoylamino)propyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 23546481
3-[[4-[(Dimethylamino)methylcarbamoyl]-2,2,4-trimethyl-6-(2-oxopyrrolidin-1-yl)octanoyl]amino]propyl-trimethylazanium
CID 58517374
3-[[4-[3-(Dimethylamino)propylcarbamoyl]-2-methyl-6-(2-oxopyrrolidin-1-yl)octanoyl]amino]propyl-trimethylazanium
CID 59194223
3-[[4-[3-(Dimethylamino)propylcarbamoyl]-2,2,4-trimethyl-6-(2-oxopyrrolidin-1-yl)octanoyl]amino]propyl-dodecyl-dimethylazanium
CID 67721263
3-[[4-[(Dimethylamino)methylcarbamoyl]-2,2,4-trimethyl-6-(2-oxopyrrolidin-1-yl)octanoyl]amino]propyl-dodecyl-dimethylazanium
CID 67725695
(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide
CID 87781317
2-Methyl-2-(1-oxo-2,54-diazaspiro[4.51]hexapentacontan-54-yl)propanal
CID 90033820
2-Methyl-2-(3-methyl-1-oxo-2,54-diazaspiro[4.51]hexapentacontan-54-yl)propanal
CID 90463508
N-[(1S)-1-cyclohexyl-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide
CID 117742600

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide (CID 89097089) is N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide is CCC(CC(C)(CC(C)(C)C=O)C(=O)NCCCN(C)C)N1CCCC1=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
The InChIKey is OVORQUGXCHYTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O3/c1-7-17(24-13-8-10-18(24)26)14-21(4,15-20(2,3)16-25)19(27)22-11-9-12-23(5)6/h16-17H,7-15H2,1-6H3,(H,22,27).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide has a molecular weight of 381.56 g/mol, XLogP of 2.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 89097089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).