N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide

C22H26N2O4 — CID 70145141

IUPACN-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide
SMILESCN(C(=O)C(=O)CCCCCCC(N)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-24(22(27)20(25)11-7-2-3-8-12-21(23)26)17-13-15-19(16-14-17)28-18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3,(H2,23,26)
InChIKeyHOLJQQWPHRWGQN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.84
Rot. Bonds11

About N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide

N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide (PubChem CID 70145141) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide
PubChem CID70145141
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide
SMILESCN(C(=O)C(=O)CCCCCCC(N)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-24(22(27)20(25)11-7-2-3-8-12-21(23)26)17-13-15-19(16-14-17)28-18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3,(H2,23,26)
InChIKeyHOLJQQWPHRWGQN-UHFFFAOYSA-N
XLogP3.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N-methyl-2-oxononanediamide
CID 70068849
N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride
CID 119758153
N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 91227714
[(2R)-3-carboxy-2-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]propyl]azanium
CID 145473524
phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450
phenoxybenzene;tetradecanoic acid
CID 175422794
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
N',N'-diphenyldodecanediamide
CID 70400318
N,N-dimethyl-2-oxo-7-phenylheptanamide
CID 123200026
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 86869517
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide?
The IUPAC name of N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide (CID 70145141) is N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide.
What is the SMILES notation for N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide?
The canonical SMILES for N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide is CN(C(=O)C(=O)CCCCCCC(N)=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide?
The InChIKey is HOLJQQWPHRWGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-24(22(27)20(25)11-7-2-3-8-12-21(23)26)17-13-15-19(16-14-17)28-18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3,(H2,23,26).
What are the key properties of N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide?
N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide has a molecular weight of 382.46 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide is sourced from PubChem (CID 70145141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).