N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide

C18H18N2O2 — CID 87087037

IUPACN,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=O)N=C
InChIInChI=1S/C18H18N2O2/c1-10(11(2)13(4)15(6)17(21)19-8)12(3)14(5)16(7)18(22)20-9/h1-9H2
InChIKeySLYCUMHXAPRDPH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds8

About N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide

N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide (PubChem CID 87087037) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide.

Molecular Properties

Compound NameN,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide
PubChem CID87087037
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide
SMILESC=NC(=O)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=C)C(=O)N=C
InChIInChI=1S/C18H18N2O2/c1-10(11(2)13(4)15(6)17(21)19-8)12(3)14(5)16(7)18(22)20-9/h1-9H2
InChIKeySLYCUMHXAPRDPH-UHFFFAOYSA-N
XLogP3.33
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.33
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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2,2,2-trifluoro-N-methylideneacetamide
CID 23191452
N-methylidene-N'-(3-oxobut-1-en-2-yl)ethanimidamide
CID 176965956
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
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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-nonamethylidenenonanediamide?
The IUPAC name of N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide (CID 87087037) is N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide.
What is the SMILES notation for N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide?
The canonical SMILES for N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide is C=NC(=O)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-nonamethylidenenonanediamide?
The InChIKey is SLYCUMHXAPRDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10(11(2)13(4)15(6)17(21)19-8)12(3)14(5)16(7)18(22)20-9/h1-9H2.
What are the key properties of N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide?
N,N',2,3,4,5,6,7,8-nonamethylidenenonanediamide has a molecular weight of 294.35 g/mol, XLogP of 3.33, 8 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-nonamethylidenenonanediamide is sourced from PubChem (CID 87087037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).