N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide

C24H24N2O2 — CID 87602276

IUPACN,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=O)N=C
InChIInChI=1S/C24H24N2O2/c1-13(15(3)17(5)19(7)21(9)23(27)25-11)14(2)16(4)18(6)20(8)22(10)24(28)26-12/h1-12H2
InChIKeyJNSGDDZSTJJPTL-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.00
Rot. Bonds11

About N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide

N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide (PubChem CID 87602276) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide.

Molecular Properties

Compound NameN,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide
PubChem CID87602276
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=O)N=C
InChIInChI=1S/C24H24N2O2/c1-13(15(3)17(5)19(7)21(9)23(27)25-11)14(2)16(4)18(6)20(8)22(10)24(28)26-12/h1-12H2
InChIKeyJNSGDDZSTJJPTL-UHFFFAOYSA-N
XLogP5.00
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2-methylidenepropanedioic acid;hydrate
CID 158875494
1-amino-3-methylideneurea
CID 21187130
N-[1,2,2-tris(methylideneamino)ethenyl]methanimine
CID 139820201
3-fluorobut-3-en-2-one
CID 158766969
2-fluoroprop-2-enoic acid;hydrochloride
CID 87142297
acetic acid;N-methylidenehydroxylamine
CID 22247177

Frequently Asked Questions

What is the IUPAC name of N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide?
The IUPAC name of N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide (CID 87602276) is N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide.
What is the SMILES notation for N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide?
The canonical SMILES for N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide is C=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=O)N=C.
What is the InChIKey of N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide?
The InChIKey is JNSGDDZSTJJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-13(15(3)17(5)19(7)21(9)23(27)25-11)14(2)16(4)18(6)20(8)22(10)24(28)26-12/h1-12H2.
What are the key properties of N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide?
N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide has a molecular weight of 372.47 g/mol, XLogP of 5.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,3,4,5,6,7,8,9,10,11-dodecamethylidenedodecanediamide is sourced from PubChem (CID 87602276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).