N-cyclopropyl-N'-pentylpentadec-5-enediamide

C23H42N2O2 — CID 123554011

IUPACN-cyclopropyl-N'-pentylpentadec-5-enediamide
SMILESCCCCCNC(=O)CCCCCCCCC=CCCCC(=O)NC1CC1
InChIInChI=1S/C23H42N2O2/c1-2-3-15-20-24-22(26)16-13-11-9-7-5-4-6-8-10-12-14-17-23(27)25-21-18-19-21/h8,10,21H,2-7,9,11-20H2,1H3,(H,24,26)(H,25,27)
InChIKeyMYZHVLGXCIBSRR-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.42
Rot. Bonds18

About N-cyclopropyl-N'-pentylpentadec-5-enediamide

N-cyclopropyl-N'-pentylpentadec-5-enediamide (PubChem CID 123554011) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is N-cyclopropyl-N'-pentylpentadec-5-enediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-pentylpentadec-5-enediamide
PubChem CID123554011
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC NameN-cyclopropyl-N'-pentylpentadec-5-enediamide
SMILESCCCCCNC(=O)CCCCCCCCC=CCCCC(=O)NC1CC1
InChIInChI=1S/C23H42N2O2/c1-2-3-15-20-24-22(26)16-13-11-9-7-5-4-6-8-10-12-14-17-23(27)25-21-18-19-21/h8,10,21H,2-7,9,11-20H2,1H3,(H,24,26)(H,25,27)
InChIKeyMYZHVLGXCIBSRR-UHFFFAOYSA-N
XLogP5.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(5E,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 6380021
(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-pentylpentadec-5-enediamide?
The IUPAC name of N-cyclopropyl-N'-pentylpentadec-5-enediamide (CID 123554011) is N-cyclopropyl-N'-pentylpentadec-5-enediamide.
What is the SMILES notation for N-cyclopropyl-N'-pentylpentadec-5-enediamide?
The canonical SMILES for N-cyclopropyl-N'-pentylpentadec-5-enediamide is CCCCCNC(=O)CCCCCCCCC=CCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-pentylpentadec-5-enediamide?
The InChIKey is MYZHVLGXCIBSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-2-3-15-20-24-22(26)16-13-11-9-7-5-4-6-8-10-12-14-17-23(27)25-21-18-19-21/h8,10,21H,2-7,9,11-20H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-cyclopropyl-N'-pentylpentadec-5-enediamide?
N-cyclopropyl-N'-pentylpentadec-5-enediamide has a molecular weight of 378.60 g/mol, XLogP of 5.42, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-pentylpentadec-5-enediamide is sourced from PubChem (CID 123554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).