N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide

C31H60N2O3 — CID 164993773

IUPACN,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
SMILESCCCCCCCCCCCCN(C)C(=O)CC(=O)CC(=O)N(C)CCCCCCCCCCCC
InChIInChI=1S/C31H60N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-32(3)30(35)27-29(34)28-31(36)33(4)26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3
InChIKeyHGEBVZFRMWGBPJ-UHFFFAOYSA-N
MW508.83 g/mol
LogP8.09
Rot. Bonds26

About N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide

N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide (PubChem CID 164993773) has the molecular formula C31H60N2O3 and a molecular weight of 508.83 g/mol. Its IUPAC name is N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide.

Molecular Properties

Compound NameN,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
PubChem CID164993773
Molecular FormulaC31H60N2O3
Molecular Weight508.83 g/mol
Exact Mass508.46
IUPAC NameN,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
SMILESCCCCCCCCCCCCN(C)C(=O)CC(=O)CC(=O)N(C)CCCCCCCCCCCC
InChIInChI=1S/C31H60N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-32(3)30(35)27-29(34)28-31(36)33(4)26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3
InChIKeyHGEBVZFRMWGBPJ-UHFFFAOYSA-N
XLogP8.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
CID 20664951
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
methyl N-hexyl-N-methylcarbamate
CID 14923771
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[5-[di(nonyl)amino]pentyl]-N-methylacetamide
CID 177193825
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
ethane;N-methyl-N-octylacetamide
CID 142531459

Frequently Asked Questions

What is the IUPAC name of N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide?
The IUPAC name of N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide (CID 164993773) is N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide.
What is the SMILES notation for N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide?
The canonical SMILES for N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide is CCCCCCCCCCCCN(C)C(=O)CC(=O)CC(=O)N(C)CCCCCCCCCCCC.
What is the InChIKey of N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide?
The InChIKey is HGEBVZFRMWGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-32(3)30(35)27-29(34)28-31(36)33(4)26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3.
What are the key properties of N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide?
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide has a molecular weight of 508.83 g/mol, XLogP of 8.09, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide is sourced from PubChem (CID 164993773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).