N'-heptylundecanediamide;propanoic acid

C21H42N2O4 — CID 175230905

IUPACN'-heptylundecanediamide;propanoic acid
SMILESCCC(=O)O.CCCCCCCNC(=O)CCCCCCCCCC(N)=O
InChIInChI=1S/C18H36N2O2.C3H6O2/c1-2-3-4-10-13-16-20-18(22)15-12-9-7-5-6-8-11-14-17(19)21;1-2-3(4)5/h2-16H2,1H3,(H2,19,21)(H,20,22);2H2,1H3,(H,4,5)
InChIKeyBIVBBWPHFGMJSM-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.55
Rot. Bonds17

About N'-heptylundecanediamide;propanoic acid

N'-heptylundecanediamide;propanoic acid (PubChem CID 175230905) has the molecular formula C21H42N2O4 and a molecular weight of 386.58 g/mol. Its IUPAC name is N'-heptylundecanediamide;propanoic acid.

Molecular Properties

Compound NameN'-heptylundecanediamide;propanoic acid
PubChem CID175230905
Molecular FormulaC21H42N2O4
Molecular Weight386.58 g/mol
Exact Mass386.31
IUPAC NameN'-heptylundecanediamide;propanoic acid
SMILESCCC(=O)O.CCCCCCCNC(=O)CCCCCCCCCC(N)=O
InChIInChI=1S/C18H36N2O2.C3H6O2/c1-2-3-4-10-13-16-20-18(22)15-12-9-7-5-6-8-11-14-17(19)21;1-2-3(4)5/h2-16H2,1H3,(H2,19,21)(H,20,22);2H2,1H3,(H,4,5)
InChIKeyBIVBBWPHFGMJSM-UHFFFAOYSA-N
XLogP4.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-heptylundecanediamide;propanoic acid 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'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N'-dodecylbutanediamide
CID 19973702
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
N'-icosylbutanediamide
CID 175408923
11-(dodecanoylamino)undecanoic acid
CID 4163254
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N'-heptylundecanediamide;propanoic acid?
The IUPAC name of N'-heptylundecanediamide;propanoic acid (CID 175230905) is N'-heptylundecanediamide;propanoic acid.
What is the SMILES notation for N'-heptylundecanediamide;propanoic acid?
The canonical SMILES for N'-heptylundecanediamide;propanoic acid is CCC(=O)O.CCCCCCCNC(=O)CCCCCCCCCC(N)=O.
What is the InChIKey of N'-heptylundecanediamide;propanoic acid?
The InChIKey is BIVBBWPHFGMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2.C3H6O2/c1-2-3-4-10-13-16-20-18(22)15-12-9-7-5-6-8-11-14-17(19)21;1-2-3(4)5/h2-16H2,1H3,(H2,19,21)(H,20,22);2H2,1H3,(H,4,5).
What are the key properties of N'-heptylundecanediamide;propanoic acid?
N'-heptylundecanediamide;propanoic acid has a molecular weight of 386.58 g/mol, XLogP of 4.55, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptylundecanediamide;propanoic acid is sourced from PubChem (CID 175230905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).