N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide

C33H66N2O2 — CID 88536227

IUPACN,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
SMILESCCCCCCCCC(CCCCC)N(C)C(=O)CC(=O)N(C)C(CCCCC)CCCCCCCC
InChIInChI=1S/C33H66N2O2/c1-7-11-15-17-19-23-27-30(25-21-13-9-3)34(5)32(36)29-33(37)35(6)31(26-22-14-10-4)28-24-20-18-16-12-8-2/h30-31H,7-29H2,1-6H3
InChIKeyYWGBLIKKKRMGLA-UHFFFAOYSA-N
MW522.90 g/mol
LogP9.69
Rot. Bonds26

About N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide

N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide (PubChem CID 88536227) has the molecular formula C33H66N2O2 and a molecular weight of 522.90 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
PubChem CID88536227
Molecular FormulaC33H66N2O2
Molecular Weight522.90 g/mol
Exact Mass522.51
IUPAC NameN,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
SMILESCCCCCCCCC(CCCCC)N(C)C(=O)CC(=O)N(C)C(CCCCC)CCCCCCCC
InChIInChI=1S/C33H66N2O2/c1-7-11-15-17-19-23-27-30(25-21-13-9-3)34(5)32(36)29-33(37)35(6)31(26-22-14-10-4)28-24-20-18-16-12-8-2/h30-31H,7-29H2,1-6H3
InChIKeyYWGBLIKKKRMGLA-UHFFFAOYSA-N
XLogP9.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.90
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-N-methylhenicosan-11-amine
CID 141096758
N-methyl-N-pentadecan-6-ylformamide
CID 89274387
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N-heptadecan-9-yl-8-[2-hydroxyethyl-[6-[methyl(undecyl)amino]-6-oxohexyl]amino]-N-methyloctanamide
CID 171562649
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate
CID 89278791
N,N-dimethylicosan-5-amine
CID 19862397
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N-methyl-N-octadecan-3-ylhydroxylamine
CID 90035792
N-icosan-3-yl-N-methylhydroxylamine
CID 90035828
2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide?
The IUPAC name of N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide (CID 88536227) is N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide.
What is the SMILES notation for N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide?
The canonical SMILES for N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide is CCCCCCCCC(CCCCC)N(C)C(=O)CC(=O)N(C)C(CCCCC)CCCCCCCC.
What is the InChIKey of N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide?
The InChIKey is YWGBLIKKKRMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66N2O2/c1-7-11-15-17-19-23-27-30(25-21-13-9-3)34(5)32(36)29-33(37)35(6)31(26-22-14-10-4)28-24-20-18-16-12-8-2/h30-31H,7-29H2,1-6H3.
What are the key properties of N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide?
N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide has a molecular weight of 522.90 g/mol, XLogP of 9.69, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide is sourced from PubChem (CID 88536227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).