2-nonylidenedodecanediamide

C21H40N2O2 — CID 154630805

IUPAC2-nonylidenedodecanediamide
SMILESCCCCCCCCC=C(CCCCCCCCCC(N)=O)C(N)=O
InChIInChI=1S/C21H40N2O2/c1-2-3-4-5-7-10-13-16-19(21(23)25)17-14-11-8-6-9-12-15-18-20(22)24/h16H,2-15,17-18H2,1H3,(H2,22,24)(H2,23,25)
InChIKeyIMRZZRWHMPAQIB-UHFFFAOYSA-N
MW352.56 g/mol
LogP5.14
Rot. Bonds18

About 2-nonylidenedodecanediamide

2-nonylidenedodecanediamide (PubChem CID 154630805) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-nonylidenedodecanediamide.

Molecular Properties

Compound Name2-nonylidenedodecanediamide
PubChem CID154630805
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name2-nonylidenedodecanediamide
SMILESCCCCCCCCC=C(CCCCCCCCCC(N)=O)C(N)=O
InChIInChI=1S/C21H40N2O2/c1-2-3-4-5-7-10-13-16-19(21(23)25)17-14-11-8-6-9-12-15-18-20(22)24/h16H,2-15,17-18H2,1H3,(H2,22,24)(H2,23,25)
InChIKeyIMRZZRWHMPAQIB-UHFFFAOYSA-N
XLogP5.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-dodecylpentadec-2-enamide
CID 173002797
2-hexylidenehexanediamide
CID 140969893
2-hexylnon-2-enamide;prop-2-enoic acid
CID 174868257
(Z)-(113C)octadec-9-enamide
CID 175811454
(E)-icos-11-enamide
CID 5365373
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
octadec-9-enamide
CID 75990485
2-[3-(butylamino)propylidene]decanamide
CID 174854372
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of 2-nonylidenedodecanediamide?
The IUPAC name of 2-nonylidenedodecanediamide (CID 154630805) is 2-nonylidenedodecanediamide.
What is the SMILES notation for 2-nonylidenedodecanediamide?
The canonical SMILES for 2-nonylidenedodecanediamide is CCCCCCCCC=C(CCCCCCCCCC(N)=O)C(N)=O.
What is the InChIKey of 2-nonylidenedodecanediamide?
The InChIKey is IMRZZRWHMPAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-2-3-4-5-7-10-13-16-19(21(23)25)17-14-11-8-6-9-12-15-18-20(22)24/h16H,2-15,17-18H2,1H3,(H2,22,24)(H2,23,25).
What are the key properties of 2-nonylidenedodecanediamide?
2-nonylidenedodecanediamide has a molecular weight of 352.56 g/mol, XLogP of 5.14, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylidenedodecanediamide is sourced from PubChem (CID 154630805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).