N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide

C37H57N3O2 — CID 71373326

IUPACN-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide
SMILESCCCCCCCCCCCCc1c(OC)c(NC(=O)CCCCCCCCCCC)cc2nc3ccccc3nc12
InChIInChI=1S/C37H57N3O2/c1-4-6-8-10-12-14-16-17-19-21-25-30-36-33(38-31-26-23-24-27-32(31)40-36)29-34(37(30)42-3)39-35(41)28-22-20-18-15-13-11-9-7-5-2/h23-24,26-27,29H,4-22,25,28H2,1-3H3,(H,39,41)
InChIKeyIOVJWIUNSFWMGP-UHFFFAOYSA-N
MW575.88 g/mol
LogP11.11
Rot. Bonds23

About N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide

N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide (PubChem CID 71373326) has the molecular formula C37H57N3O2 and a molecular weight of 575.88 g/mol. Its IUPAC name is N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide
PubChem CID71373326
Molecular FormulaC37H57N3O2
Molecular Weight575.88 g/mol
Exact Mass575.45
IUPAC NameN-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide
SMILESCCCCCCCCCCCCc1c(OC)c(NC(=O)CCCCCCCCCCC)cc2nc3ccccc3nc12
InChIInChI=1S/C37H57N3O2/c1-4-6-8-10-12-14-16-17-19-21-25-30-36-33(38-31-26-23-24-27-32(31)40-36)29-34(37(30)42-3)39-35(41)28-22-20-18-15-13-11-9-7-5-2/h23-24,26-27,29H,4-22,25,28H2,1-3H3,(H,39,41)
InChIKeyIOVJWIUNSFWMGP-UHFFFAOYSA-N
XLogP11.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.88
LogP ≤ 511.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
N-naphthalen-1-yldodecanamide
CID 588517
N-(2-methoxyquinolin-8-yl)heptanamide
CID 141137919
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(2-chlorophenyl)octanamide
CID 2292983

Frequently Asked Questions

What is the IUPAC name of N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide?
The IUPAC name of N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide (CID 71373326) is N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide.
What is the SMILES notation for N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide?
The canonical SMILES for N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide is CCCCCCCCCCCCc1c(OC)c(NC(=O)CCCCCCCCCCC)cc2nc3ccccc3nc12.
What is the InChIKey of N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide?
The InChIKey is IOVJWIUNSFWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57N3O2/c1-4-6-8-10-12-14-16-17-19-21-25-30-36-33(38-31-26-23-24-27-32(31)40-36)29-34(37(30)42-3)39-35(41)28-22-20-18-15-13-11-9-7-5-2/h23-24,26-27,29H,4-22,25,28H2,1-3H3,(H,39,41).
What are the key properties of N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide?
N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide has a molecular weight of 575.88 g/mol, XLogP of 11.11, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide is sourced from PubChem (CID 71373326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).