N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide

C21H40N2O3 — CID 611276

IUPACN,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide
SMILESCCCCCCCN(C)C(=O)CCC(=O)C(=O)N(C)CCCCCCC
InChIInChI=1S/C21H40N2O3/c1-5-7-9-11-13-17-22(3)20(25)16-15-19(24)21(26)23(4)18-14-12-10-8-6-2/h5-18H2,1-4H3
InChIKeyIESHUYGQAQJGEF-UHFFFAOYSA-N
MW368.56 g/mol
LogP4.19
Rot. Bonds16

About N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide

N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide (PubChem CID 611276) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide.

Molecular Properties

Compound NameN,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide
PubChem CID611276
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC NameN,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide
SMILESCCCCCCCN(C)C(=O)CCC(=O)C(=O)N(C)CCCCCCC
InChIInChI=1S/C21H40N2O3/c1-5-7-9-11-13-17-22(3)20(25)16-15-19(24)21(26)23(4)18-14-12-10-8-6-2/h5-18H2,1-4H3
InChIKeyIESHUYGQAQJGEF-UHFFFAOYSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
dodecyl 4-[methyl(octadecyl)amino]-4-oxobutanoate
CID 101425995
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442

Frequently Asked Questions

What is the IUPAC name of N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide?
The IUPAC name of N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide (CID 611276) is N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide.
What is the SMILES notation for N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide?
The canonical SMILES for N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide is CCCCCCCN(C)C(=O)CCC(=O)C(=O)N(C)CCCCCCC.
What is the InChIKey of N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide?
The InChIKey is IESHUYGQAQJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-5-7-9-11-13-17-22(3)20(25)16-15-19(24)21(26)23(4)18-14-12-10-8-6-2/h5-18H2,1-4H3.
What are the key properties of N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide?
N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide has a molecular weight of 368.56 g/mol, XLogP of 4.19, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diheptyl-N,N'-dimethyl-2-oxopentanediamide is sourced from PubChem (CID 611276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).